Coumarin, 3-chloro-4-piperidino-
Basic information
- CAS
36048-07-4- Standard SMILES
O=c1oc2ccccc2c(N2CCCCC2)c1Cl- InChIKey
XGSYNSVLEUYTKS-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO2
- Average molar mass
- 263.72 g/mol
- Monoisotopic mass
- 263.0713064
Names & identifiers
- Preferred name
- Coumarin, 3-chloro-4-piperidino-
- IUPAC
- 3-chloro-4-piperidin-1-ylchromen-2-one
- English name
- 3-Chloro-4-(1-piperidinyl)-2H-1-benzopyran-2-one
- Molecular formula
- C14H14ClNO2
- Molecular weight
- 263.72
Names & synonyms
3-Chloro-4-piperidinocoumarin36048-07-4COUMARIN, 3-CHLORO-4-PIPERIDINO-2H-1-Benzopyran-2-one, 3-chloro-4-(1-piperidinyl)-C39DUZ76W3NSC-203310DTXSID00189607RefChem:1082237DTXCID201120983-chloro-4-(piperidin-1-yl)-2H-chromen-2-oneNSC 203310BRN 0241273
Show more names
NSC203310UNII-C39DUZ76W33-Chloro-4-(1-piperidinyl)-2H-1-benzopyran-2-oneWLN: T66 BOVJ DG E- AT6NTJ3-Chloro-4-(piperidin-1-yl)-2H-1-benzopyran-2-one
Database identifiers
- CAS
36048-07-4- PubChem CID
- 37353
- DTXSID
DTXSID00189607- UNII
- C39DUZ76W3
- Nikkaji
- J48.488A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- FDA UNII
- 39 DUZ76W3 · C39DUZ76W3
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Related reactions
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Compound notes
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