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Home > Boronic Acids > 554453-76-8
554453-76-8 | (1,2-Dimethyl-1H-imidazol-5-yl)boronic acid
CAS No: 554453-76-8 Catalog No: AG00379Y MDL No:
Product Description
Catalog Number:
AG00379Y
Chemical Name:
(1,2-Dimethyl-1H-imidazol-5-yl)boronic acid
CAS Number:
554453-76-8
Molecular Formula:
C5H9BN2O2
Molecular Weight:
139.9482
IUPAC Name:
(2,3-dimethylimidazol-4-yl)boronic acid
InChI:
InChI=1S/C5H9BN2O2/c1-4-7-3-5(6(9)10)8(4)2/h3,9-10H,1-2H3
InChI Key:
BDDKQPMDNDUVJC-UHFFFAOYSA-N
SMILES:
OB(c1cnc(n1C)C)O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.076g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.949g/mol
Monoisotopic Mass:
140.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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