Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)-
Basic information
- CAS
64046-89-5- Standard SMILES
O=C(/C=C\c1ccc([N+](=O)[O-])o1)Nc1ccc(SCCCl)cc1- InChIKey
UXBARCIIFXYTQO-CLTKARDFSA-N- Molecular formula
- C15H13ClN2O4S
- Average molar mass
- 352.8 g/mol
- Monoisotopic mass
- 352.0284558
Names & identifiers
- Preferred name
- Acrylanilide, 4'-(2-chloroethylthio)-3-(5-nitro-2-furyl)-
- IUPAC
- (Z)-N-[4-(2-chloroethylsulfanyl)phenyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
Names & synonyms
ACRYLANILIDE, 4'-(2-CHLOROETHYLTHIO)-3-(5-NITRO-2-FURYL)-64046-89-5RefChem:1076081USAF PD-804'-(2-Chloroethylthio)-5-nitro-2-furanacrylanilide
Database identifiers
- CAS
64046-89-5- PubChem CID
- 6434845
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
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