(2-Isopropylpyrimidin-5-yl)boronic Acid - CAS 1312942-16-7
Catalog: |
BB060544 |
Product Name: |
(2-Isopropylpyrimidin-5-yl)boronic Acid |
CAS: |
1312942-16-7 |
Synonyms: |
(2-ISOPROPYLPYRIMIDIN-5-YL)BORONIC ACID; 2-Isopropylpyrimidine-5-boronic acid; (2-propan-2-ylpyrimidin-5-yl)boronic acid; [2-(PROPAN-2-YL)PYRIMIDIN-5-YL]BORONIC ACID |
IUPAC Name: | (2-propan-2-ylpyrimidin-5-yl)boronic acid |
Description: | (2-Isopropylpyrimidin-5-yl)boronic acid |
Molecular Weight: | 165.99 |
Molecular Formula: | C7H11BN2O2 |
Canonical SMILES: | B(C1=CN=C(N=C1)C(C)C)(O)O |
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 |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.0913578 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0913578 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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