Basic information
- CAS
5621-60-3- Standard SMILES
Cc1ccc(C(=O)c2cc(Br)ccc2N)cc1- InChIKey
OCHXQKDWNREAJT-UHFFFAOYSA-N- Molecular formula
- C14H12BrNO
- Average molar mass
- 290.15 g/mol
- Monoisotopic mass
- 289.01023
Names & identifiers
- Preferred name
- ST50264022
- IUPAC
- (2-amino-5-bromophenyl)-(4-methylphenyl)methanone
Names & synonyms
5621-60-3ST50264022DTXSID20354557RefChem:381600DTXCID90305617(2-AMINO-5-BROMOPHENYL)(P-TOLYL)METHANONE(2-Amino-5-bromophenyl)(4-methylphenyl)methanone(2-amino-5-bromophenyl)-(4-methylphenyl)methanoneOprea1_062341Oprea1_753199MLS000764525SCHEMBL4259849
Show more names
CHEMBL1371255OCHXQKDWNREAJT-UHFFFAOYSA-NHMS2666C03AKOS000540764CCG-202855SMR0002901302-amino-5-bromophenyl 4-methylphenyl ketoneCS-0331763
Database identifiers
- CAS
5621-60-3- PubChem CID
- 776243
- DTXSID
DTXSID20354557- ChEMBL
CHEMBL1371255
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 273
Experimental & physicochemical properties
Solubility2.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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