Basic information
- CAS
24813-13-6- Standard SMILES
O=[N+]([O-])c1cccc(N(CCCl)CCCl)c1- InChIKey
YGMKECHJXDTTCK-UHFFFAOYSA-N- Molecular formula
- C10H12Cl2N2O2
- Average molar mass
- 263.12 g/mol
- Monoisotopic mass
- 262.027583
Names & identifiers
- Preferred name
- N,N-Bis(2-chloroethyl)-3-nitrobenzenamine
- IUPAC
- N,N-bis(2-chloroethyl)-3-nitroaniline
Names & synonyms
ANILINE, N,N-BIS(2-CHLOROETHYL)-m-NITRO-24813-13-6DTXSID30179511RefChem:1090379DTXCID90102002N,N-bis(2-chloroethyl)-3-nitrobenzenamineN,N-Bis(2-chloroethyl)-m-nitroanilineBRN 2811840N,N-Bis(2-chloroethyl)-3-nitroanilineCHEMBL281788SCHEMBL74721693-Nitro-N,N-bis[chloroethyl]aniline
Show more names
3-Nitro-N,N-bis[2-chloroethyl]anilineDA-43075N,N-Bis(2-chloroethyl)-3-nitroaniline #3-[N,N-bis(2-chloroethyl)amino]nitrobenzene
Database identifiers
- CAS
24813-13-6- PubChem CID
- 32679
- DTXSID
DTXSID30179511- ChEMBL
CHEMBL281788- Nikkaji
- J271.541D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Related reactions
3 records
Compound notes
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