2-chloro-5-[(E)-2-nitroethenyl]thiophene
Completing data — refresh the page later to see the latest
Basic information
- CAS
1025689-37-5- Standard SMILES
O=[N+]([O-])/C=C/c1ccc(Cl)s1- InChIKey
IEFOBMWMGIWTAW-ONEGZZNKSA-N- Molecular formula
- C6H4ClNO2S
- Average molar mass
- 189.62 g/mol
Names & identifiers
- Preferred name
- 2-chloro-5-[(E)-2-nitroethenyl]thiophene
- IUPAC
- 2-chloro-5-[(E)-2-nitroethenyl]thiophene
- English name
- 2-Chloro-5-(2-nitrovinyl)thiophene
- Molecular formula
- C6H4ClNO2S
- Molecular weight
- 189.62
Names & synonyms
2-chloro-5-(2-nitro-vinyl)-thiophene2-chloro-5-[(E)-2-nitroethenyl]thiophene28783-34-8SCHEMBL2075985SBB091014AKOS0174338925-((1E)-2-nitrovinyl)-2-chlorothiopheneAI-942/250341342-Chloro-5-(2-nitrovinyl)thiopheneThiophene, 2-chloro-5-[(1E)-2-nitroethenyl]-
Database identifiers
- CAS
1025689-37-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 302.556 · 302.556±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.48 · 1.480±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…