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Home > Boronic Acids > 1287753-41-6
1287753-41-6 | [2-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-methylphenyl]-boronic acid
CAS No: 1287753-41-6 Catalog No: AG009YM2 MDL No:MFCD08059989
Product Description
Catalog Number:
AG009YM2
Chemical Name:
[2-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-methylphenyl]-boronic acid
CAS Number:
1287753-41-6
Molecular Formula:
C12H15BN2O2
Molecular Weight:
230.0707
MDL Number:
MFCD08059989
IUPAC Name:
[2-(3,5-dimethylpyrazol-1-yl)-4-methylphenyl]boronic acid
InChI:
InChI=1S/C12H15BN2O2/c1-8-4-5-11(13(16)17)12(6-8)15-10(3)7-9(2)14-15/h4-7,16-17H,1-3H3
InChI Key:
PBNRTWNGRDPMFC-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)n1nc(cc1C)C)B(O)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.123g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.074g/mol
Monoisotopic Mass:
230.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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