| CAS Number | 1312942-16-7 |
| Catalog Number | AG00HSF4(AGN-PC-0WNNE2) |
| Chemical Name | (2-Isopropylpyrimidin-5-yl)boronic acid |
| IUPAC Name | (2-propan-2-ylpyrimidin-5-yl)boronic acid |
| InChI | InChI=1S/C7H11BN2O2/c1-5(2)7-9-3-6(4-10-7)8(11)12/h3-5,11-12H,1-2H3 |
| InChI Key | JVYHCLGHZUTXHU-UHFFFAOYSA-N |
| MDL Number | MFCD10696941 |
| Molecular Formula | C7H11BN2O2 |
| Molecular Weight | 165.9854 |
| SMILES | B(c1cnc(nc1)C(C)C)(O)O |
| Synonyms | 1312942-16-7,
(2-ISOPROPYLPYRIMIDIN-5-YL)BORONIC ACID,
2-Isopropylpyrimidine-5-boronic acid,
[2-(PROPAN-2-YL)PYRIMIDIN-5-YL]BORONIC ACID,
SCHEMBL12401833,
AKOS006304832,
ZINC198099586,
PB13273,
CS-0055383,
Boronic acid, B-[2-(1-methylethyl)-5-pyrimidinyl]-,
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| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.987g/mol |
| Monoisotopic Mass | 166.091g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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