3-Bromo-4-(trifluoromethyl)benzamide
Basic information
- CAS
581813-18-5- Standard SMILES
NC(=O)c1ccc(C(F)(F)F)c(Br)c1- InChIKey
DVDFVDMPXWLROS-UHFFFAOYSA-N- Molecular formula
- C8H5BrF3NO
- Average molar mass
- 268.03 g/mol
- Monoisotopic mass
- 266.95066
Names & identifiers
- Preferred name
- 3-Bromo-4-(trifluoromethyl)benzamide
- IUPAC
- 3-bromo-4-(trifluoromethyl)benzamide
Names & synonyms
3-Bromo-4-(trifluoromethyl)benzamide581813-18-5SCHEMBL18237103-bromo-4-trifluoromethylbenzamideDTXSID601290290MFCD27987144DB-087471A1-29755
Database identifiers
- CAS
581813-18-5- PubChem CID
- 22337673
- DTXSID
DTXSID601290290
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Related reactions
4 records
Compound notes
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