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Home > Boronic Acids > 957061-02-8
957061-02-8 | (4-((1H-Pyrazol-1-yl);sulfonyl);phenyl);boronic acid
CAS No: 957061-02-8 Catalog No: AG006BSD MDL No:MFCD09027235
Product Description
Catalog Number:
AG006BSD
Chemical Name:
(4-((1H-Pyrazol-1-yl);sulfonyl);phenyl);boronic acid
CAS Number:
957061-02-8
Molecular Formula:
C9H9BN2O4S
Molecular Weight:
252.0548
MDL Number:
MFCD09027235
IUPAC Name:
(4-pyrazol-1-ylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C9H9BN2O4S/c13-10(14)8-2-4-9(5-3-8)17(15,16)12-7-1-6-11-12/h1-7,13-14H
InChI Key:
JEIPACYLLOVWOL-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)n1cccn1)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.038g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.051g/mol
Monoisotopic Mass:
252.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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