Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-
Basic information
- CAS
128869-29-4- Standard SMILES
C=CCSC(C[N+](=O)[O-])c1ccc(Cl)cc1- InChIKey
BXFHTZGQVCCJQF-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO2S
- Average molar mass
- 257.74 g/mol
- Monoisotopic mass
- 257.0277275
Names & identifiers
- Preferred name
- Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-
- IUPAC
- 1-chloro-4-(2-nitro-1-prop-2-enylsulfanylethyl)benzene
Names & synonyms
128869-29-4Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-DTXSID40343029BXFHTZGQVCCJQF-UHFFFAOYSA-N1-[1-(Allylsulfanyl)-2-nitroethyl]-4-chlorobenzene #1-Chloro-4-{2-nitro-1-[(prop-2-en-1-yl)sulfanyl]ethyl}benzene
Database identifiers
- CAS
128869-29-4- PubChem CID
- 586757
- DTXSID
DTXSID40343029- Nikkaji
- J339.539A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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