5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid
Basic information
- CAS
59187-57-4- Standard SMILES
O=C(O)c1cc(Cl)ccc1-n1c(=O)[nH]c2ccccc2c1=O- InChIKey
QEGUGEXPCYGYDS-UHFFFAOYSA-N- Molecular formula
- C15H9ClN2O4
- Average molar mass
- 316.69 g/mol
- Monoisotopic mass
- 316.0250845
Names & identifiers
- Preferred name
- 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid
- IUPAC
- 5-chloro-2-(2,4-dioxo-1H-quinazolin-3-yl)benzoic acid
Names & synonyms
NSC28839659187-57-4DTXSID00314775NSC-2883965-Chloro-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)benzoic acid
Database identifiers
- CAS
59187-57-4- PubChem CID
- 324148
- DTXSID
DTXSID00314775
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 498
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…