3-(3,5-Dimethyl-1h-pyrazol-1-yl)phenylboronic Acid - CAS 1025735-46-9
Catalog: |
BB066752 |
Product Name: |
3-(3,5-Dimethyl-1h-pyrazol-1-yl)phenylboronic Acid |
CAS: |
1025735-46-9 |
Synonyms: |
B-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl]boronic Acid |
IUPAC Name: | [3-(3,5-dimethylpyrazol-1-yl)phenyl]boronic acid |
Description: | 3-(3,5-Dimethyl-1h-pyrazol-1-yl)phenylboronic acid |
Molecular Weight: | 216.04 |
Molecular Formula: | C11H13BN2O2 |
Canonical SMILES: | B(C1=CC(=CC=C1)N2C(=CC(=N2)C)C)(O)O |
InChI: | InChI=1S/C11H13BN2O2/c1-8-6-9(2)14(13-8)11-5-3-4-10(7-11)12(15)16/h3-7,15-16H,1-2H3 |
InChI Key: | RBSKBRQNRWKHSP-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.1070078 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.1070078 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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