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Home > Boronic Acids > 1428582-36-8
1428582-36-8 | [3-(4-methyl-1H-pyrazol-1-yl)phenyl]boronic acid
CAS No: 1428582-36-8 Catalog No: AG01AOUJ MDL No:MFCD27951820
Product Description
Catalog Number:
AG01AOUJ
Chemical Name:
[3-(4-methyl-1H-pyrazol-1-yl)phenyl]boronic acid
CAS Number:
1428582-36-8
Molecular Formula:
C10H11BN2O2
Molecular Weight:
202.0175
MDL Number:
MFCD27951820
IUPAC Name:
[3-(4-methylpyrazol-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C10H11BN2O2/c1-8-6-12-13(7-8)10-4-2-3-9(5-10)11(14)15/h2-7,14-15H,1H3
InChI Key:
ALUPGYPYXASNLN-UHFFFAOYSA-N
SMILES:
Cc1cnn(c1)c1cccc(c1)B(O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.02g/mol
Monoisotopic Mass:
202.091g/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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