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Home > Boronic Acids > 1257738-46-7
1257738-46-7 | Boronic acid, B-1H-indazol-5-yl-, hydrochloride (1:1)
CAS No: 1257738-46-7 Catalog No: AG000OOQ MDL No:
Product Description
Catalog Number:
AG000OOQ
Chemical Name:
Boronic acid, B-1H-indazol-5-yl-, hydrochloride (1:1)
CAS Number:
1257738-46-7
Molecular Formula:
C7H8BClN2O2
Molecular Weight:
198.4146
IUPAC Name:
1H-indazol-5-ylboronic acid;hydrochloride
InChI:
InChI=1S/C7H7BN2O2.ClH/c11-8(12)6-1-2-7-5(3-6)4-9-10-7;/h1-4,11-12H,(H,9,10);1H
InChI Key:
DQTQZKIAQNCGLW-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)cn[nH]2)O.Cl
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.037g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
198.413g/mol
Monoisotopic Mass:
198.037g/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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