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Home > Boronic Acids > 499769-95-8
499769-95-8 | 1H-Benzimidazol-4-ylboronic acid
CAS No: 499769-95-8 Catalog No: AG003EDB MDL No:MFCD05664677
Product Description
Catalog Number:
AG003EDB
Chemical Name:
1H-Benzimidazol-4-ylboronic acid
CAS Number:
499769-95-8
Molecular Formula:
C7H7BN2O2
Molecular Weight:
161.9537
MDL Number:
MFCD05664677
IUPAC Name:
1H-benzimidazol-4-ylboronic acid
InChI:
InChI=1S/C7H7BN2O2/c11-8(12)5-2-1-3-6-7(5)10-4-9-6/h1-4,11-12H,(H,9,10)
InChI Key:
UNWJCMBQRPPTIH-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1nc[nH]2)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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