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Home > Boronic Acids > 1072945-87-9
1072945-87-9 | 1-METHYL-1H-BENZOIMIDAZOLE-6-BORONIC ACID
CAS No: 1072945-87-9 Catalog No: AG007WOO MDL No:MFCD09972099
Product Description
Catalog Number:
AG007WOO
Chemical Name:
1-METHYL-1H-BENZOIMIDAZOLE-6-BORONIC ACID
CAS Number:
1072945-87-9
Molecular Formula:
C8H9BN2O2
Molecular Weight:
175.9803
MDL Number:
MFCD09972099
IUPAC Name:
(3-methylbenzimidazol-5-yl)boronic acid
InChI:
InChI=1S/C8H9BN2O2/c1-11-5-10-7-3-2-6(9(12)13)4-8(7)11/h2-5,12-13H,1H3
InChI Key:
AOOJQSARVKLHLF-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)n(C)cn2)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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