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Home > Boronic Acids > 1228183-22-9
1228183-22-9 | Boronic acid, B-1H-benzimidazol-6-yl-
CAS No: 1228183-22-9 Catalog No: AG000JJE MDL No:MFCD10697876
Product Description
Catalog Number:
AG000JJE
Chemical Name:
Boronic acid, B-1H-benzimidazol-6-yl-
CAS Number:
1228183-22-9
Molecular Formula:
C7H7BN2O2
Molecular Weight:
161.9537
MDL Number:
MFCD10697876
IUPAC Name:
3H-benzimidazol-5-ylboronic acid
InChI:
InChI=1S/C7H7BN2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h1-4,11-12H,(H,9,10)
InChI Key:
PJLWYAFHMUXYCI-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)[nH]cn2)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.06g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
161.955g/mol
Monoisotopic Mass:
162.06g/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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