| CAS Number | 540495-74-7 |
| Catalog Number | AG019KHP |
| Chemical Name | 2-[(4-Oxo-3,4-dihydroquinazolin-2-yl)methyl]benzoic acid |
| IUPAC Name | 2-[(4-oxo-3H-quinazolin-2-yl)methyl]benzoic acid |
| InChI | InChI=1S/C16H12N2O3/c19-15-12-7-3-4-8-13(12)17-14(18-15)9-10-5-1-2-6-11(10)16(20)21/h1-8H,9H2,(H,20,21)(H,17,18,19) |
| InChI Key | HYGGQEMOVYEUKG-UHFFFAOYSA-N |
| MDL Number | MFCD03469138 |
| Molecular Formula | C16H12N2O3 |
| Molecular Weight | 280.2781 |
| SMILES | OC(C1=C(CC2NC(=O)C3=C(C=CC=C3)N=2)C=CC=C1)=O |
| Synonyms | 2-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]benzoic acid,
540495-74-7,
Oprea1_387968,
AC1Q726V,
CTK7I8978,
CTK8F3911,
ZINC8754382,
STK972670,
AKOS033871173,
MCULE-3636230622,
NE29277,
EN300-26984,
2-(4-oxo-3,4-dihydro-2-quinazolinylmethyl)benzoic acid,
Z235342995,
2-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]benzoic acid, AldrichCPR,
|
| Complexity | 460 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.283g/mol |
| Monoisotopic Mass | 280.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number