Basic information
- CAS
76928-34-2- Standard SMILES
Cl.O=C(Oc1ccccc1C1CCCCC1)c1cccnc1- InChIKey
KDWWTXCFEYTIEL-UHFFFAOYSA-N- Molecular formula
- C18H20ClNO2
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.11825656
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochloride
- IUPAC
- (2-cyclohexylphenyl) pyridine-3-carboxylate;hydrochloride
Names & synonyms
o-Cyclohexylphenyl nicotinate hydrochloride3-Pyridinecarboxylic acid, 2-cyclohexylphenyl ester, hydrochlorideNicotinic acid, o-cyclohexylphenyl ester, hydrochloride76928-34-2DTXSID40227714RefChem:282274DTXCID90150205SCHEMBL10634831KDWWTXCFEYTIEL-UHFFFAOYSA-N2-Cyclohexylphenyl pyridine-3-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
76928-34-2- PubChem CID
- 3059643
- DTXSID
DTXSID40227714
Properties
Computed structural properties
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 338
Related reactions
3 records
Compound notes
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