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Home > Boronic Acids > 1040848-01-8
1040848-01-8 | (4-(1H-Imidazol-2-yl)phenyl)boronic acid
CAS No: 1040848-01-8 Catalog No: AG007F1U MDL No:MFCD13183280
Product Description
Catalog Number:
AG007F1U
Chemical Name:
(4-(1H-Imidazol-2-yl)phenyl)boronic acid
CAS Number:
1040848-01-8
Molecular Formula:
C9H9BN2O2
Molecular Weight:
187.9910
MDL Number:
MFCD13183280
IUPAC Name:
[4-(1H-imidazol-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C9H9BN2O2/c13-10(14)8-3-1-7(2-4-8)9-11-5-6-12-9/h1-6,13-14H,(H,11,12)
InChI Key:
GQGOGLFEPGIFKJ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)c1ncc[nH]1)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.076g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
187.993g/mol
Monoisotopic Mass:
188.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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