Basic information
- CAS
42419-56-7- Standard SMILES
N#CC1(Nc2ccc(Br)cc2)CCCCC1- InChIKey
GHSVLMPBBRJBIR-UHFFFAOYSA-N- Molecular formula
- C13H15BrN2
- Average molar mass
- 279.18 g/mol
- Monoisotopic mass
- 278.04186
Names & identifiers
- Preferred name
- 1-(4-Bromoanilino)cyclohexane-1-carbonitrile
- IUPAC
- 1-(4-bromoanilino)cyclohexane-1-carbonitrile
Names & synonyms
1-(4-bromoanilino)cyclohexane-1-carbonitrileSCHEMBL20340406STL575838AKOS008967730ST512221801-[(4-bromophenyl)amino]cyclohexanecarbonitrile1-(4-BROMOANILINO)CYCLOHEXANECARBONITRILESR-01000423547SR-01000423547-1
Database identifiers
- CAS
42419-56-7- PubChem CID
- 775982
- EC Number
- 120-967-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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