Basic information
- CAS
20697-05-6- Standard SMILES
O=[N+]([O-])c1cccc(C2CO2)c1- InChIKey
VVZFDVJTIOLMKC-UHFFFAOYSA-N- Molecular formula
- C8H7NO3
- Average molar mass
- 165.15 g/mol
Names & identifiers
- Preferred name
- 2-(3-Nitrophenyl)oxirane
- IUPAC
- 2-(3-nitrophenyl)oxirane
- English name
- 1-Nitro-3-oxiranylbenzene
- Molecular formula
- C8H7NO3
- Molecular weight
- 165.15
Names & synonyms
2-(3-nitrophenyl)oxirane20697-05-6Oxirane, 2-(3-nitrophenyl)-m-nitrostyrene oxide3-Nitrostyrene oxide(3-Nitrophenyl)oxirane2-(3-Nitro-phenyl)-oxiraneSCHEMBL177270VVZFDVJTIOLMKC-UHFFFAOYSA-NAKOS006238814MB08885DS-000497
Show more names
1-Nitro-3-oxiranylbenzene1,2-Epoxy-1-(3-nitrophenyl)ethane
CS-0252822EN300-61700Z970069252
Database identifiers
- CAS
20697-05-6- PubChem CID
- 11228987
- EC Number
- 196-952-0
- Nikkaji
- J27.158F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 140 · 140-141 °C(Press: 4 Torr)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers5 total
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
6 records
Compound notes
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