(4-(4-Methyl-1H-pyrazol-1-yl)phenyl)boronic acid - CAS 2225181-67-7
Catalog: |
BB052461 |
Product Name: |
(4-(4-Methyl-1H-pyrazol-1-yl)phenyl)boronic acid |
CAS: |
2225181-67-7 |
Synonyms: |
(4-(4-Methyl-1H-pyrazol-1-yl)phenyl)boronicacid |
IUPAC Name: | [4-(4-methylpyrazol-1-yl)phenyl]boronic acid |
Molecular Weight: | 202.02 |
Molecular Formula: | C10H11BN2O2 |
Canonical SMILES: | B(C1=CC=C(C=C1)N2C=C(C=N2)C)(O)O |
InChI: | InChI=1S/C10H11BN2O2/c1-8-6-12-13(7-8)10-4-2-9(3-5-10)11(14)15/h2-7,14-15H,1H3 |
InChI Key: | INGCSWUCSJQHMV-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0913578 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0913578 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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