Basic information
- CAS
4701-10-4- Standard SMILES
O=[N+]([O-])/C=C/C=C/c1ccccc1- InChIKey
HXAORLISYKTFNQ-KBXRYBNXSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 1-Nitro-4-phenylbutadiene
- IUPAC
- [(1E,3E)-4-nitrobuta-1,3-dienyl]benzene
- English name
- 1-nitro-4-phenylbutadiene
- Molecular formula
- C10H9NO2
- Molecular weight
- 175.18
Names & synonyms
1-Nitro-4-phenylbutadiene1-Nitro-4-phenyl-1,3-butadiene4701-10-4RefChem:76565((1E,3E)-4-nitrobuta-1,3-dien-1-yl)benzene28925-75-9(4-NITROBUTA-1,3-DIEN-1-YL)BENZENESCHEMBL3756400HXAORLISYKTFNQ-KBXRYBNXSA-N1-nitro-4-phenylbuta-1,3-dieneBenzene, (4-nitro-1,3-butadienyl)-1-((1E,3E)-4-nitrobuta-1,3-dienyl)benzene
Show more names
Benzene, (4-nitro-1,3-butadien-1-yl)-
EN300-1860289
Database identifiers
- CAS
4701-10-4- PubChem CID
- 6440183
- Nikkaji
- J2.508.802F、J2.807.049G、J865.635E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 45 · 45-46 °C(Solv: methanol (67-56-1))
- Boiling point
- 315.8 · 315.8±21.0 °C(Predicted)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
Related reactions
1 records
Compound notes
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