Basic information
- CAS
2414-90-6- Standard SMILES
Cc1cc(N(CCCl)CCCl)ccc1C=Nc1ccc(F)cc1[N+](=O)[O-]- InChIKey
YZKRFSNQAWACCF-UHFFFAOYSA-N- Molecular formula
- C18H18Cl2FN3O2
- Average molar mass
- 398.3 g/mol
- Monoisotopic mass
- 397.0760104
Names & identifiers
- Preferred name
- n,n-Bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylaniline
- IUPAC
- N,N-bis(2-chloroethyl)-4-[(4-fluoro-2-nitrophenyl)iminomethyl]-3-methylaniline
Names & synonyms
2414-90-6NSC80836n,n-bis(2-chloroethyl)-4-{(e)-[(4-fluoro-2-nitrophenyl)imino]methyl}-3-methylanilineDTXSID30292214NSC-80836DS-009903BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-4-[[(4-FLUORO-2-NITROPHENYL)IMINO]METHYL]-3-METHYL-
Database identifiers
- CAS
2414-90-6- PubChem CID
- 255384
- DTXSID
DTXSID30292214
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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