Basic information
- CAS
338407-51-5- Standard SMILES
O=[N+]([O-])C(=CNc1cccc(Cl)c1)S(=O)(=O)c1ccccc1- InChIKey
CZWRRVDCGVTRPU-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O4S
- Average molar mass
- 338.8 g/mol
Names & identifiers
- Preferred name
- N-[2-(benzenesulfonyl)-2-nitroethenyl]-3-chloroaniline
- IUPAC
- N-[2-(benzenesulfonyl)-2-nitroethenyl]-3-chloroaniline
- English name
- 3-Chloro-N-[2-nitro-2-(phenylsulfonyl)vinyl]aniline
- Molecular formula
- C14H11ClN2O4S
- Molecular weight
- 338.77
Names & synonyms
AKOS0302444473-Chloro-N-[2-nitro-2-(phenylsulfonyl)vinyl]anilineN-[(E)-2-(benzenesulfonyl)-2-nitroethenyl]-3-chloroanilineN-(3-CHLOROPHENYL)-N-[2-NITRO-2-(PHENYLSULFONYL)VINYL]AMINEBenzenamine, 3-chloro-N-[2-nitro-2-(phenylsulfonyl)ethenyl]-
Database identifiers
- CAS
338407-51-5
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 518
Physicochemical properties
- Boiling point
- 514.5 · 514.5±50.0 °C(Predicted)
- Density
- 1.474 · 1.474±0.06 g/cm3(Predicted)
- pka
- -3.92 · -3.92±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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