trans-3-(4-Bromobenzoyl)cyclohexane-1-carboxylic acid

HCID 67147299
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Basic information

Standard SMILES
O=C(O)[C@H]1CCC[C@H](C(=O)c2ccc(Br)cc2)C1
InChIKey
YPSVTIOENMFRPI-QWRGUYRKSA-N
Molecular formula
C14H15BrO3
Average molar mass
311.17 g/mol
Monoisotopic mass
310.02046

Names & identifiers

Preferred name
trans-3-(4-Bromobenzoyl)cyclohexane-1-carboxylic acid
IUPAC
trans-(1S,3S)-3-(4-bromobenzoyl)cyclohexane-1-carboxylic acid

Names & synonyms

SCHEMBL1748073YPSVTIOENMFRPI-QWRGUYRKSA-Ntrans-3-(4-bromobenzoyl)cyclohexane-1-carboxylic acidtrans-3-(4-bromobenzoyl)cyclohexane-l-carboxylic acid

Database identifiers

PubChem CID
67147299

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18

Related reactions

4 records
New reaction record

Compound notes

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