Basic information
- CAS
40912-88-7- Standard SMILES
CCNC(=O)c1cc(Br)cc(C)c1O- InChIKey
YPWPVPLDLYIPNI-UHFFFAOYSA-N- Molecular formula
- C10H12BrNO2
- Average molar mass
- 258.11 g/mol
- Monoisotopic mass
- 257.00514
Names & identifiers
- Preferred name
- Benzamide, 5-bromo-N-ethyl-2-hydroxy-3-methyl-
- IUPAC
- 5-bromo-N-ethyl-2-hydroxy-3-methylbenzamide
Names & synonyms
5-Bromo-N-ethyl-2-hydroxy-3-methylbenzamide40912-88-7BRN 2093815BENZAMIDE, 5-BROMO-N-ETHYL-2-HYDROXY-3-METHYL-DTXSID90193915RefChem:321881DTXCID30116406SCHEMBL11869160
Database identifiers
- CAS
40912-88-7- PubChem CID
- 38709
- DTXSID
DTXSID90193915- Nikkaji
- J1.561.902C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Experimental & physicochemical properties
LogP3.61
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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