2-(Cyclopropyl)pyrimidine-5-boronic acid pinacol ester - CAS 1375301-91-9
Catalog: |
BB068862 |
Product Name: |
2-(Cyclopropyl)pyrimidine-5-boronic acid pinacol ester |
CAS: |
1375301-91-9 |
Synonyms: |
2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine; 2-(CYCLOPROPYL)PYRIMIDINE-5-BORONIC ACID PINACOL ESTER; (2-CYCLOPROPYLPYRIMIDIN-5-YL)BORONIC ACID PINACOL ESTER |
IUPAC Name: | 2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine |
Description: | 2-(Cyclopropyl)pyrimidine-5-boronic acid pinacol ester |
Molecular Weight: | 246.11 |
Molecular Formula: | C13H19BN2O2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)C3CC3 |
InChI: | InChI=1S/C13H19BN2O2/c1-12(2)13(3,4)18-14(17-12)10-7-15-11(16-8-10)9-5-6-9/h7-9H,5-6H2,1-4H3 |
InChI Key: | DVGWUOHIWJBHKY-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.153958 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.153958 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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