3-(2-Cyanopropan-2-yl)phenylboronic acid - CAS 885067-95-8
Catalog: |
BB069012 |
Product Name: |
3-(2-Cyanopropan-2-yl)phenylboronic acid |
CAS: |
885067-95-8 |
Synonyms: |
(3-(2-Cyanopropan-2-yl)phenyl)boronic acid; 3-(2-Cyanopropan-2-yl)phenylboronic acid; [3-(2-Cyanopropan-2-yl)phenyl]boronic acid; (3-(2-Cyanopropan-2-yl)phenyl)boronicacid |
IUPAC Name: | [3-(2-cyanopropan-2-yl)phenyl]boronic acid |
Description: | 3-(2-Cyanopropan-2-yl)phenylboronic acid |
Molecular Weight: | 189.02 |
Molecular Formula: | C10H12BNO2 |
Canonical SMILES: | B(C1=CC(=CC=C1)C(C)(C)C#N)(O)O |
InChI: | InChI=1S/C10H12BNO2/c1-10(2,7-12)8-4-3-5-9(6-8)11(13)14/h3-6,13-14H,1-2H3 |
InChI Key: | WHBIOYORDBEGAI-UHFFFAOYSA-N |
GHS Hazard Statement: | H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0961088 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0961088 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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