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Home > Boronic Acids > 1257527-53-9
1257527-53-9 | Boronic acid, B-(1-methyl-1H-indazol-4-yl)-, hydrochloride (1:1)
CAS No: 1257527-53-9 Catalog No: AG000OMD MDL No:MFCD13176537
Product Description
Catalog Number:
AG000OMD
Chemical Name:
Boronic acid, B-(1-methyl-1H-indazol-4-yl)-, hydrochloride (1:1)
CAS Number:
1257527-53-9
Molecular Formula:
C8H10BClN2O2
Molecular Weight:
212.4412
MDL Number:
MFCD13176537
IUPAC Name:
(1-methylindazol-4-yl)boronic acid;hydrochloride
InChI:
InChI=1S/C8H9BN2O2.ClH/c1-11-8-4-2-3-7(9(12)13)6(8)5-10-11;/h2-5,12-13H,1H3;1H
InChI Key:
KHFSEMAIXIWYGM-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1cnn2C)O.Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.44g/mol
Monoisotopic Mass:
212.052g/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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