6-Bromo-4-oxo-1,4-dihydroquinazoline-2-carboxylic acid
Basic information
- CAS
1029420-52-7- Standard SMILES
O=C(O)c1nc2ccc(Br)cc2c(=O)[nH]1- InChIKey
JBRYVFHWPUESKM-UHFFFAOYSA-N- Molecular formula
- C9H5BrN2O3
- Average molar mass
- 269.05 g/mol
- Monoisotopic mass
- 267.94835
Names & identifiers
- Preferred name
- 6-Bromo-4-oxo-1,4-dihydroquinazoline-2-carboxylic acid
- IUPAC
- 6-bromo-4-oxo-3H-quinazoline-2-carboxylic acid
- English name
- 6-bromo-4-oxo-3,4-dihydroquinazoline-2-carboxylic acid
- Molecular formula
- C9H5BrN2O3
- Molecular weight
- 269.05
Names & synonyms
1029420-52-76-Bromo-4-oxo-1,4-dihydroquinazoline-2-carboxylic acidSCHEMBL13343587TQR1080DTXSID101210035DB-1079726-Bromo-3,4-dihydro-4-oxo-2-quinazolinecarboxylic acid6-bromo-4-oxo-3,4-dihydroquinazoline-2-carboxylic acid
Database identifiers
- CAS
1029420-52-7- PubChem CID
- 136014445
- DTXSID
DTXSID101210035
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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