| CAS Number | 899438-46-1 |
| Catalog Number | AG00IFWD(AGN-PC-09LIUU) |
| Chemical Name | Boronic acid, B-7-quinazolinyl- |
| IUPAC Name | quinazolin-7-ylboronic acid |
| InChI | InChI=1S/C8H7BN2O2/c12-9(13)7-2-1-6-4-10-5-11-8(6)3-7/h1-5,12-13H |
| InChI Key | WAPOSZXCZRHKGA-UHFFFAOYSA-N |
| MDL Number | MFCD10697419 |
| Molecular Formula | C8H7BN2O2 |
| Molecular Weight | 173.9644 |
| SMILES | B(O)(O)c1cc2c(cc1)cncn2 |
| Synonyms | QUINAZOLIN-7-YLBORONIC ACID,
899438-46-1,
Quinazoline-7-boronic acid,
(quinazolin-7-yl)boronic acid,
Boronic acid, 7-quinazolinyl-,
CTK5G7175,
KS-00000ISV,
DTXSID10680579,
QUINAZOLIN-7-BORONIC ACID,
4936AC,
MFCD10697419,
AKOS006302273,
ZINC169952199,
AB59561,
CS-W005326,
AK112698,
TC-072659,
ST24049098,
C8H7BN2O2,
QUINAZOLIN-7-YLBORONICACID,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.966g/mol |
| Monoisotopic Mass | 174.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number