Basic information
- CAS
63390-10-3- Standard SMILES
Nc1ccc(-c2ccc(N)c(Cl)c2)cc1- InChIKey
QPVKGHLRLBAUIM-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2
- Average molar mass
- 218.68 g/mol
- Monoisotopic mass
- 218.0610761
Names & identifiers
- Preferred name
- 3-Chlorobenzidine
- IUPAC
- 4-(4-aminophenyl)-2-chloroaniline
Names & synonyms
3-Chlorobenzidine63390-10-3(1,1'-BIPHENYL)-4,4'-DIAMINE, 3-CHLORO-BRN 28050613-Chloro-(1,1'-biphenyl)-4,4'-diamineSCHEMBL2153177DTXSID402128023-Chloro[1,1'-biphenyl]-4,4'-diamine
Database identifiers
- CAS
63390-10-3- PubChem CID
- 44477
- DTXSID
DTXSID40212802- Nikkaji
- J1.214.176I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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