Aniline, N-(2-chloroethyl)-2,4-dinitro-
Basic information
- CAS
16830-65-2- Standard SMILES
O=[N+]([O-])c1ccc(NCCCl)c([N+](=O)[O-])c1- InChIKey
KIUINNCYJPPOLM-UHFFFAOYSA-N- Molecular formula
- C8H8ClN3O4
- Average molar mass
- 245.62 g/mol
- Monoisotopic mass
- 245.0203334
Names & identifiers
- Preferred name
- Aniline, N-(2-chloroethyl)-2,4-dinitro-
- IUPAC
- N-(2-chloroethyl)-2,4-dinitroaniline
Names & synonyms
N-(2-Chloroethyl)-2,4-dinitroanilineANILINE, N-(2-CHLOROETHYL)-2,4-DINITRO-1-(2-Chloroethyl)amino-2,4-dinitrobenzeneN-beta-Chloroethyl-2,4-dinitroaniline16830-65-2Benzenamine, N-(2-chloroethyl)-2,4-dinitro-5Z97HY666HNSC-194253NSC 194253BRN 2869002NSC1942533-12-00-01682 (Beilstein Handbook Reference)
Show more names
UNII-5Z97HY666HDTXSID10168549
Database identifiers
- CAS
16830-65-2- PubChem CID
- 28104
- DTXSID
DTXSID10168549- UNII
- 5Z97HY666H
- Nikkaji
- J60.401A
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
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Compound notes
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