(1-Nitropropyl)benzene
Basic information
- CAS
5279-14-1- Standard SMILES
CCC(c1ccccc1)[N+](=O)[O-]- InChIKey
ALWXETURCOIGIZ-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- (1-Nitropropyl)benzene
- IUPAC
- 1-nitropropylbenzene
- English name
- (1-Nitropropyl)benzene
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
(1-NITROPROPYL)BENZENE5279-14-1DTXSID60967246RefChem:1049306DTXCID301394847Benzene, (1-nitropropyl)-a-nitropropylbenzene(1-Nitropropyl)benzene #SCHEMBL266714SCHEMBL3115677SCHEMBL5479947SCHEMBL10709401
Show more names
ALWXETURCOIGIZ-UHFFFAOYSA-N
Database identifiers
- CAS
5279-14-1- PubChem CID
- 21349
- DTXSID
DTXSID60967246- Nikkaji
- J101.557E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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