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Home > Boronic Acids > 1162262-38-5
1162262-38-5 | 1,3,5-Trimethyl-1H-pyrazole-4-boronic acid HCl
CAS No: 1162262-38-5 Catalog No: AG00HDPI MDL No:MFCD11616524
Product Description
Catalog Number:
AG00HDPI
Chemical Name:
1,3,5-Trimethyl-1H-pyrazole-4-boronic acid HCl
CAS Number:
1162262-38-5
Molecular Formula:
C6H12BClN2O2
Molecular Weight:
190.4357
MDL Number:
MFCD11616524
IUPAC Name:
(1,3,5-trimethylpyrazol-4-yl)boronic acid;hydrochloride
InChI:
InChI=1S/C6H11BN2O2.ClH/c1-4-6(7(10)11)5(2)9(3)8-4;/h10-11H,1-3H3;1H
InChI Key:
HBVXRUDSVOJNOQ-UHFFFAOYSA-N
SMILES:
OB(c1c(C)nn(c1C)C)O.Cl
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.434g/mol
Monoisotopic Mass:
190.068g/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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