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Home > Boronic Acids > 852362-22-2
852362-22-2 | (1-Benzyl-1H-pyrazol-4-yl)boronic acid
CAS No: 852362-22-2 Catalog No: AG003BF4 MDL No:MFCD04038760
Product Description
Catalog Number:
AG003BF4
Chemical Name:
(1-Benzyl-1H-pyrazol-4-yl)boronic acid
CAS Number:
852362-22-2
Molecular Formula:
C10H11BN2O2
Molecular Weight:
202.0175
MDL Number:
MFCD04038760
IUPAC Name:
(1-benzylpyrazol-4-yl)boronic acid
InChI:
InChI=1S/C10H11BN2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8,14-15H,7H2
InChI Key:
JXNAIAOHYPDQQC-UHFFFAOYSA-N
SMILES:
OB(c1cnn(c1)Cc1ccccc1)O
Properties
Complexity:
198
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:
3
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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