N,N-bis(2-bromoethyl)-4-chloroaniline
Basic information
- CAS
64977-12-4- Standard SMILES
Clc1ccc(N(CCBr)CCBr)cc1- InChIKey
WBIZQZAVAKXXTG-UHFFFAOYSA-N- Molecular formula
- C10H12Br2ClN
- Average molar mass
- 341.47 g/mol
- Monoisotopic mass
- 338.9025
Names & identifiers
- Preferred name
- N,N-bis(2-bromoethyl)-4-chloroaniline
- IUPAC
- N,N-bis(2-bromoethyl)-4-chloroaniline
Names & synonyms
64977-12-4N,N-bis(2-bromoethyl)-4-chloroanilineNSC260403CHEMBL3247517DTXSID40312654NSC-260403N,n-bis(2-bromoethyl)-4-chloro-anilineDS-011702
Database identifiers
- CAS
64977-12-4- PubChem CID
- 318969
- DTXSID
DTXSID40312654- ChEMBL
CHEMBL3247517
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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