Basic information
- CAS
1789-02-2- Standard SMILES
Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1C(F)(F)F- InChIKey
HHTMAJKSXPMTHF-UHFFFAOYSA-N- Molecular formula
- C16H10BrF3N2O
- Average molar mass
- 383.16 g/mol
- Monoisotopic mass
- 381.99286
Names & identifiers
- Preferred name
- 3-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone
- IUPAC
- 3-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylquinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 3-(4-bromo-2-trifluoromethylphenyl)-2-methyl-1789-02-2DTXSID90170605RefChem:1066779DTXCID10930963-(4-Bromo-2-(trifluoromethyl)phenyl)-2-methyl-4(3H)-quinazolinone3-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylquinazolin-4-oneB 215BRN 08395192-Methyl-3-(4-bromo-2-trifluoromethylphenyl)-4(3H)-quinazolinone2-Methyl-3-(2'-trifluormethyl-4'-bromphenyl)chinazolon-(4) [German]2-Methyl-3-(2'-trifluormethyl-4'-bromphenyl)chinazolon-(4)
Show more names
3-[4-Bromo-2-(trifluoromethyl)phenyl]-2-methylquinazolin-4(3H)-oneCCG-247780
Database identifiers
- CAS
1789-02-2- PubChem CID
- 64078
- DTXSID
DTXSID90170605- Nikkaji
- J73.050E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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