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Home > Boronic Acids > 1162262-39-6
1162262-39-6 | Boronic acid, B-(3,5-dimethyl-1H-pyrazol-4-yl)-, hydrochloride (1:1)
CAS No: 1162262-39-6 Catalog No: AG000BYX MDL No:MFCD11616525
Product Description
Catalog Number:
AG000BYX
Chemical Name:
Boronic acid, B-(3,5-dimethyl-1H-pyrazol-4-yl)-, hydrochloride (1:1)
CAS Number:
1162262-39-6
Molecular Formula:
C5H10BClN2O2
Molecular Weight:
176.4091
MDL Number:
MFCD11616525
IUPAC Name:
(3,5-dimethyl-1H-pyrazol-4-yl)boronic acid;hydrochloride
InChI:
InChI=1S/C5H9BN2O2.ClH/c1-3-5(6(9)10)4(2)8-7-3;/h9-10H,1-2H3,(H,7,8);1H
InChI Key:
OZOICLKAFJMZGM-UHFFFAOYSA-N
SMILES:
OB(c1c(C)n[nH]c1C)O.Cl
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
176.407g/mol
Monoisotopic Mass:
176.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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