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Home > Boronic Acids > 1001907-60-3
1001907-60-3 | Boronic acid, B-(1-methyl-1H-indazol-4-yl)-
CAS No: 1001907-60-3 Catalog No: AG00016I MDL No:MFCD09870045
Product Description
Catalog Number:
AG00016I
Chemical Name:
Boronic acid, B-(1-methyl-1H-indazol-4-yl)-
CAS Number:
1001907-60-3
Molecular Formula:
C8H9BN2O2
Molecular Weight:
175.9803
MDL Number:
MFCD09870045
IUPAC Name:
(1-methylindazol-4-yl)boronic acid
InChI:
InChI=1S/C8H9BN2O2/c1-11-8-4-2-3-7(9(12)13)6(8)5-10-11/h2-5,12-13H,1H3
InChI Key:
MDEHELJMJCXYIU-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1cnn2C)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:
2
Isotope Atom Count:
0
Molecular Weight:
175.982g/mol
Monoisotopic Mass:
176.076g/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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