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Home > Boronic Acids > 957720-01-3
957720-01-3 | (1-methyl-1H-imidazol-4-yl)boronic acid
CAS No: 957720-01-3 Catalog No: AG00K9X8 MDL No:MFCD22188192
Product Description
Catalog Number:
AG00K9X8
Chemical Name:
(1-methyl-1H-imidazol-4-yl)boronic acid
CAS Number:
957720-01-3
Molecular Formula:
C4H7BN2O2
Molecular Weight:
125.9216
MDL Number:
MFCD22188192
IUPAC Name:
(1-methylimidazol-4-yl)boronic acid
InChI:
InChI=1S/C4H7BN2O2/c1-7-2-4(5(8)9)6-3-7/h2-3,8-9H,1H3
InChI Key:
OFMUVGASVDGYKV-UHFFFAOYSA-N
SMILES:
OB(c1ncn(c1)C)O
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.06g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
125.922g/mol
Monoisotopic Mass:
126.06g/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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