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Home > Boronic Acids > 1194483-04-9
1194483-04-9 | 2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-5-ylboronic acid
CAS No: 1194483-04-9 Catalog No: AG00HF0N MDL No:MFCD18384070
Product Description
Catalog Number:
AG00HF0N
Chemical Name:
2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-5-ylboronic acid
CAS Number:
1194483-04-9
Molecular Formula:
C7H7BN2O3
Molecular Weight:
177.9531
MDL Number:
MFCD18384070
IUPAC Name:
(2-oxo-1,3-dihydrobenzimidazol-5-yl)boronic acid
InChI:
InChI=1S/C7H7BN2O3/c11-7-9-5-2-1-4(8(12)13)3-6(5)10-7/h1-3,12-13H,(H2,9,10,11)
InChI Key:
OYSAVIADHNAOQT-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)[nH]c(=O)[nH]2)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.055g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
177.954g/mol
Monoisotopic Mass:
178.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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