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Home > Boronic Acids > 1026796-02-0
1026796-02-0 | Boronic acid, B-(1-methyl-1H-pyrazol-4-yl)-, hydrochloride (1:1)
CAS No: 1026796-02-0 Catalog No: AG00083D MDL No:MFCD09972098
Product Description
Catalog Number:
AG00083D
Chemical Name:
Boronic acid, B-(1-methyl-1H-pyrazol-4-yl)-, hydrochloride (1:1)
CAS Number:
1026796-02-0
Molecular Formula:
C4H8BClN2O2
Molecular Weight:
162.3825
MDL Number:
MFCD09972098
IUPAC Name:
(1-methylpyrazol-4-yl)boronic acid;hydrochloride
InChI:
InChI=1S/C4H7BN2O2.ClH/c1-7-3-4(2-6-7)5(8)9;/h2-3,8-9H,1H3;1H
InChI Key:
YFPLZINTZVVVJM-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)B(O)O.Cl
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.037g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
162.38g/mol
Monoisotopic Mass:
162.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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