m-Chlorophenylbenzoic acid

HCID 46314701
NotesReactions

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Basic information

CAS
97027-47-9
Standard SMILES
O=C(O)c1cccc(Cl)c1-c1ccccc1
InChIKey
NSMCPUNTEVZXBK-UHFFFAOYSA-N
Molecular formula
C13H9ClO2
Average molar mass
232.66 g/mol
Monoisotopic mass
232.0291072

Names & identifiers

Preferred name
m-Chlorophenylbenzoic acid
IUPAC
3-chloro-2-phenylbenzoic acid

Names & synonyms

97027-47-9m-chlorophenylbenzoic acidSCHEMBL7528413SCHEMBL28782246SCHEMBL31037493NSMCPUNTEVZXBK-UHFFFAOYSA-NDTXSID0012733996-Chloro[1,1'-biphenyl]-2-carboxylic acid[1,1'-Biphenyl]-2-carboxylic acid, 6-chloro-6-Chloro[1,1a(2)-biphenyl]-2-carboxylic acid6-Chloro[1,1 inverted exclamation marka-biphenyl]-2-carboxylic acid

Database identifiers

CAS
97027-47-9
PubChem CID
46314701
DTXSID
DTXSID001273399
Nikkaji
J2.567.009D

Properties

Computed structural propertiesFilling in

XLogP
3.9
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16

Related reactions

1 records
New reaction record

Compound notes

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