Basic information
- CAS
13165-32-7- Standard SMILES
ClCCN(CCCl)c1ccc(Br)cc1- InChIKey
PNYUBOYGGJQKJY-UHFFFAOYSA-N- Molecular formula
- C10H12BrCl2N
- Average molar mass
- 297.02 g/mol
- Monoisotopic mass
- 294.95302
Names & identifiers
- Preferred name
- 4-Bromo-n,n-bis(2-chloroethyl)aniline
- IUPAC
- 4-bromo-N,N-bis(2-chloroethyl)aniline
Names & synonyms
13165-32-74-bromo-n,n-bis(2-chloroethyl)anilineNSC951734-Bromo-N,N-bis(2-chloroethyl)anilinatoNCIOpen2_006601CHEMBL3247513SCHEMBL14714244DTXSID80927307NSC-95173
Database identifiers
- CAS
13165-32-7- PubChem CID
- 262002
- DTXSID
DTXSID80927307- ChEMBL
CHEMBL3247513
Properties
Computed structural properties
- XLogP
- 3.6
- 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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