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Home > Boronic Acids > 1310404-46-6
1310404-46-6 | 7-methyl-1H-indazol-4-yl-4-boronic acid
CAS No: 1310404-46-6 Catalog No: AG00A05K MDL No:
Product Description
Catalog Number:
AG00A05K
Chemical Name:
7-methyl-1H-indazol-4-yl-4-boronic acid
CAS Number:
1310404-46-6
Molecular Formula:
C8H9BN2O2
Molecular Weight:
175.9803
IUPAC Name:
(7-methyl-1H-indazol-4-yl)boronic acid
InChI:
InChI=1S/C8H9BN2O2/c1-5-2-3-7(9(12)13)6-4-10-11-8(5)6/h2-4,12-13H,1H3,(H,10,11)
InChI Key:
VXZXPPCPIAEUIA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c2c1cn[nH]2)C)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.076g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
175.982g/mol
Monoisotopic Mass:
176.076g/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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