1,4-Dimethyl-1h-indazole-5-boronic acid - CAS 1310405-36-7
Catalog: |
BB066751 |
Product Name: |
1,4-Dimethyl-1h-indazole-5-boronic acid |
CAS: |
1310405-36-7 |
Synonyms: |
1,4-Dimethyl-1H-indazol-5-yl-5-boronic acid; 1,4-Dimethyl-1H-indazole-5-boronic acid; (1,4-Dimethyl-1H-indazol-5-yl)boronic acid; (1,4-dimethylindazol-5-yl)boronic acid; 1,4-dimethyl-indazole-5-boronic acid |
IUPAC Name: | (1,4-dimethylindazol-5-yl)boronic acid |
Description: | 1,4-Dimethyl-1h-indazole-5-boronic acid |
Molecular Weight: | 190.01 |
Molecular Formula: | C9H11BN2O2 |
Canonical SMILES: | B(C1=C(C2=C(C=C1)N(N=C2)C)C)(O)O |
InChI: | InChI=1S/C9H11BN2O2/c1-6-7-5-11-12(2)9(7)4-3-8(6)10(13)14/h3-5,13-14H,1-2H3 |
InChI Key: | ATHVOUQWKYPARY-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: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.0913578 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.0913578 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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