| CAS Number | 1416786-06-5 |
| Catalog Number | AG009WUI(AGN-PC-0WA4JD) |
| Chemical Name | B-(1-Cyclopentyl-1H-pyrazol-4-yl)boronic acid |
| IUPAC Name | (1-cyclopentylpyrazol-4-yl)boronic acid |
| 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 |
| MDL Number | MFCD18250636 |
| Molecular Formula | C8H13BN2O2 |
| Molecular Weight | 180.0120 |
| SMILES | OB(C1=CN(C2CCCC2)N=C1)O |
| Synonyms | 1416786-06-5,
1-CYCLOPENTYL-1H-PYRAZOLE-4-BORONIC ACID,
(1-cyclopentyl-1H-pyrazol-4-yl)boronic acid,
SCHEMBL874829,
MFCD18250636,
AKOS025293783,
ZINC169964857,
AB73375,
FT-0738297,
V3125,
B-9461,
C8H13BN2O2,
B-(1-cyclopentyl-1H-pyrazol-4-yl)Boronic acid,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.014g/mol |
| Monoisotopic Mass | 180.107g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number