Basic information
- CAS
65246-99-3- Standard SMILES
Nc1ccc(Br)cc1C(=O)c1ccc(Cl)cc1- InChIKey
SHQCZCNHNSPNBD-UHFFFAOYSA-N- Molecular formula
- C13H9BrClNO
- Average molar mass
- 310.57 g/mol
- Monoisotopic mass
- 308.95560369
Names & identifiers
- Preferred name
- (2-Amino-5-bromophenyl)(4-chlorophenyl)methanone
- IUPAC
- (2-amino-5-bromophenyl)-(4-chlorophenyl)methanone
Names & synonyms
(2-amino-5-bromophenyl)(4-chlorophenyl)methanone65246-99-3DTXSID90983853RefChem:205741DTXCID101411081SCHEMBL3543844SHQCZCNHNSPNBD-UHFFFAOYSA-NSTL089898AKOS005655349NCGC00322900-01DB-130800AB01318113-02
Show more names
(2-Amino-5-bromo-phenyl)-(4-chloro-phenyl)-methanone
Database identifiers
- CAS
65246-99-3- PubChem CID
- 182477
- DTXSID
DTXSID90983853- Nikkaji
- J1.793.100H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
3 records
Compound notes
Loading…