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Home > Boronic Acids > 1219080-61-1
1219080-61-1 | Boronic acid, B-1H-imidazol-2-yl-
CAS No: 1219080-61-1 Catalog No: AG0016DH MDL No:MFCD16251134
Product Description
Catalog Number:
AG0016DH
Chemical Name:
Boronic acid, B-1H-imidazol-2-yl-
CAS Number:
1219080-61-1
Molecular Formula:
C3H5BN2O2
Molecular Weight:
111.8950
MDL Number:
MFCD16251134
IUPAC Name:
1H-imidazol-2-ylboronic acid
InChI:
InChI=1S/C3H5BN2O2/c7-4(8)3-5-1-2-6-3/h1-2,7-8H,(H,5,6)
InChI Key:
JKCHHDHEHOKKQP-UHFFFAOYSA-N
SMILES:
OB(c1ncc[nH]1)O
Properties
Complexity:
79.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.044g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
111.895g/mol
Monoisotopic Mass:
112.044g/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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