1-Cyclopentyl-1H-pyrazole-4-boronic acid - CAS 1416786-06-5
Catalog: |
BB068930 |
Product Name: |
1-Cyclopentyl-1H-pyrazole-4-boronic acid |
CAS: |
1416786-06-5 |
Synonyms: |
1-CYCLOPENTYL-1H-PYRAZOLE-4-BORONIC ACID; (1-cyclopentyl-1H-pyrazol-4-yl)boronic acid; (1-cyclopentylpyrazol-4-yl)boronic acid |
IUPAC Name: | (1-cyclopentylpyrazol-4-yl)boronic acid |
Description: | 1-Cyclopentyl-1H-pyrazole-4-boronic acid |
Molecular Weight: | 180.01 |
Molecular Formula: | C8H13BN2O2 |
Canonical SMILES: | B(C1=CN(N=C1)C2CCCC2)(O)O |
InChI: | InChI=1S/C8H13BN2O2/c12-9(13)7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8,12-13H,1-4H2 |
InChI Key: | ZDKOFAUNSVRUKJ-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: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.1070078 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.1070078 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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