Basic information
- CAS
50275-07-5- Standard SMILES
Nc1ccc(Cc2ccc(Cl)cc2)cc1- InChIKey
XBWJBPNVDRSJCK-UHFFFAOYSA-N- Molecular formula
- C13H12ClN
- Average molar mass
- 217.69 g/mol
- Monoisotopic mass
- 217.0658271
Names & identifiers
- Preferred name
- 4-(4-Chlorobenzyl)aniline
- IUPAC
- 4-[(4-chlorophenyl)methyl]aniline
Names & synonyms
4-(4-chlorobenzyl)aniline50275-07-5DTXSID80300419RefChem:287919DTXCID402515544-[(4-chlorophenyl)methyl]anilineNSC136930p-(4-chlorobenzyl)anilineSCHEMBL3028807XBWJBPNVDRSJCK-UHFFFAOYSA-N4-(4'-chlorophenylmethyl)-anilineNSC-136930
Show more names
DS-014681
Database identifiers
- CAS
50275-07-5- PubChem CID
- 282855
- DTXSID
DTXSID80300419- Nikkaji
- J3.395.054C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 179
Related reactions
1 records
Compound notes
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