Basic information
- Standard SMILES
O=C(c1ccccc1)c1ccc(Cl)s1- InChIKey
HGDKOUQMGFUNRP-UHFFFAOYSA-N- Molecular formula
- C11H7ClOS
- Average molar mass
- 222.69 g/mol
- Monoisotopic mass
- 221.9906137
Names & identifiers
- Preferred name
- Methanone, (5-chloro-2-thienyl)phenyl-
- IUPAC
- (5-chlorothiophen-2-yl)-phenylmethanone
Names & synonyms
56824-84-1Methanone, (5-chloro-2-thienyl)phenyl-DTXSID50358523RefChem:352738DTXCID30309578(5-CHLOROTHIOPHEN-2-YL)(PHENYL)METHANONE(5-Chloro-2-thienyl)phenylmethanoneMFCD01927340(5-chlorothiophen-2-yl)-phenylmethanone2-benzoyl-5-chlorothiophene(5-chloro-2-thienyl)(phenyl)methanone2-Benzoyl-5-chlorthiophen
Show more names
SCHEMBL9151459HGDKOUQMGFUNRP-UHFFFAOYSA-NHMS1627H055-chloro(2-thienyl) phenyl ketoneSBB096398AKOS001835316AI-942/13331423SR-01000097876
Database identifiers
- CAS
56824-84-1- PubChem CID
- 901505
- DTXSID
DTXSID50358523- Nikkaji
- J731.461B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Related reactions
3 records
Linked notes
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