Cyclopentyl 4-nitrobenzoate
Basic information
- CAS
61081-80-9- Standard SMILES
O=C(OC1CCCC1)c1ccc([N+](=O)[O-])cc1- InChIKey
WPKVBNFXUGNXGX-UHFFFAOYSA-N- Molecular formula
- C12H13NO4
- Average molar mass
- 235.24 g/mol
- Monoisotopic mass
- 235.0844579
Names & identifiers
- Preferred name
- Cyclopentyl 4-nitrobenzoate
- IUPAC
- cyclopentyl 4-nitrobenzoate
- English name
- Cyclopentanol,1-(4-nitrobenzoate)
- Molecular formula
- C12H13NO4
- Molecular weight
- 235.24
Names & synonyms
Cyclopentyl 4-nitrobenzoate61081-80-9cyclopentanol, 4-nitrobenzoateMFCD04061701Cyclopentyl4-nitrobenzoatecyclopentyl-4-nitro-benzoateCyclopentyl 4-nitrobenzoate #SCHEMBL27400395DTXSID00976574WPKVBNFXUGNXGX-UHFFFAOYSA-NALBB-023877NSC87154
Show more names
Cyclopentanol,1-(4-nitrobenzoate)
NSC-87154SBB010001STK734568AKOS0033354594-Nitrobenzoic acid, cyclopentyl esterCCG-324091LS-07609ST060438
Database identifiers
- CAS
61081-80-9- PubChem CID
- 258339
- DTXSID
DTXSID00976574
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
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Related reactions
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Compound notes
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