Basic information
- CAS
40912-87-6- Standard SMILES
CNC(=O)c1cc(Br)cc(C)c1O- InChIKey
FGCDXTDNXMUIEB-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO2
- Average molar mass
- 244.08 g/mol
- Monoisotopic mass
- 242.98949
Names & identifiers
- Preferred name
- Benzamide, 5-bromo-N,3-dimethyl-2-hydroxy-
- IUPAC
- 5-bromo-2-hydroxy-N,3-dimethylbenzamide
Names & synonyms
BENZAMIDE, 5-BROMO-N,3-DIMETHYL-2-HYDROXY-40912-87-6BRN 20927565-Bromo-N,3-dimethyl-2-hydroxybenzamideDTXSID30193914RefChem:321875DTXCID701164055-bromo-2-hydroxy-N,3-dimethylbenzamideSCHEMBL21262077SCHEMBL29750651
Database identifiers
- CAS
40912-87-6- PubChem CID
- 38708
- DTXSID
DTXSID30193914- Nikkaji
- J1.561.900G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
LogP3.51
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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