Basic information
- CAS
21447-45-0- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1N(CCCl)CCCl- InChIKey
ZWPNVVQXUQWXEY-UHFFFAOYSA-N- Molecular formula
- C11H14Cl2N2O2
- Average molar mass
- 277.14 g/mol
- Monoisotopic mass
- 276.0432331
Names & identifiers
- Preferred name
- o-Toluidine, N,N-bis(2-chloroethyl)-5-nitro-
- IUPAC
- N,N-bis(2-chloroethyl)-2-methyl-5-nitroaniline
- English name
- N,N-Bis(2-chloroethyl)-5-nitro-2-methylaniline
- Molecular formula
- C11H14Cl2N2O2
- Molecular weight
- 277.15
Names & synonyms
o-Toluidine, N,N-bis(2-chloroethyl)-5-nitro-BRN 310026121447-45-0Benzenamine, N,N-bis(2-chloroethyl)-2-methyl-5-nitro-N,N-Bis(2-chloroethyl)-5-nitro-o-toluidineDTXSID601757234-12-00-01808 (Beilstein Handbook Reference)RefChem:366579DTXCID5098214N,N-bis(2-chloroethyl)-2-methyl-5-nitroanilineN,N-bis-(2-Chlorethyl)-5-nitro-o-toluidineN,N-Bis(2-chloroethyl)-5-nitro-2-methylaniline
Show more names
N,N-Bis(2-chloroethyl)-5-nitro-2-methylbenzen-1-amine
Database identifiers
- CAS
21447-45-0- PubChem CID
- 88906
- DTXSID
DTXSID60175723- Nikkaji
- J48.071A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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