1-(3-chlorophenyl)-1-propanone

1-Propanone, 1-(3-chlorophenyl)-
3-Chlorophenyl ethyl ketone
3′-Chloropropiophenone
m-Chloropropiophenone
Propiophenone, 3′-chloro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PQWGFUFROKIJBO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H9ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
IUPAC name chemrof:IUPAC_name	1-(3-chlorophenyl)-1-propanone
Molecular formula chemrof:molecular_formula	C9H9ClO
Molecular mass chemrof:molecular_mass	168.623
Monoisotopic mass chemrof:monoisotopic_mass	168.034193
SMILES string chemrof:smiles_string	CCC(=O)c1cccc(Cl)c1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=34841-35-5	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.047.478	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID1049277	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2251583	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2697RI8Z48	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J150.097J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/587128	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27254073	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
8b93ada5-1030-4dc6-97cb-df8137cad63f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
0fbaed9a-5aa5-4f25-bde4-0e2311f805cd	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
9813951e-8d3c-4652-b131-345cce000902	Environmental → Air → Indoor	EF 3.1	kg	2
0182dc0f-95ff-4b92-9da6-087890f3c71f	Environmental → Air → Long-term	EF 3.1	kg	0
88cc6303-869a-4af2-a74c-5f5c3e947e0a	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4b61410b-d78b-4fbc-8039-74b44ba6565b	Environmental → Air → Unknown	EF 3.1	kg	2
2c019b1c-0f78-444b-9d68-a27092faedae	Environmental → Ground → Agricultural	EF 3.1	kg	2
717033fc-ac03-4458-a90b-001cff34bb12	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
8c8fec47-853b-4ce1-bfea-96b4146f0dae	Environmental → Ground → Unknown	EF 3.1	kg	2
351ecca8-0008-42ab-b84c-ce7752d2f063	Environmental → Water → Long-term	EF 3.1	kg	0
8f5d2f70-6a99-4f48-b4cf-cd2bad9a9530	Environmental → Water → Ocean	EF 3.1	kg	2
c2aee0b0-7757-4edf-865f-b7f069b3e82f	Environmental → Water → Surface water	EF 3.1	kg	2
ca1e6379-8fed-4027-bb5b-5c0410d8c9f2	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
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}

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1-(3-chlorophenyl)-1-propanone

Identity

Structure

Alternative labels

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