Basic information
- CAS
2625-30-1- Standard SMILES
O=[N+]([O-])CC1CCCCC1- InChIKey
XYXAUWIWPPUGLW-UHFFFAOYSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Names & identifiers
- Preferred name
- (Nitromethyl)cyclohexane
- IUPAC
- nitromethylcyclohexane
- English name
- nitromethylcyclohexane
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
(nitromethyl)cyclohexane2625-30-1nitromethylcyclohexaneNSC3634CYCLOHEXANE,(NITROMETHYL)-MFCD11048405NITROMETHYL-CYCLOHEXANESCHEMBL261756SCHEMBL497087SCHEMBL497088SCHEMBL27599583DTXSID30949115
Show more names
Cyclohexane, (nitromethyl)-
XYXAUWIWPPUGLW-UHFFFAOYSA-NNSC-3634AKOS006307873DS-010653EN300-1841231
Database identifiers
- CAS
2625-30-1- PubChem CID
- 220634
- DTXSID
DTXSID30949115- Nikkaji
- J1.349.443F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Boiling point
- 261.28 °C · 261.28°C (rough estimate)
- Density
- 1.0482 · 1.0482
- refractive index
- 1.4705 · 1.4705 (estimate)
Chemistry & industry
Suppliers1 total
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
Related reactions
1 records
Compound notes
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