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Home > Boronic Acids > 1201643-89-1
1201643-89-1 | (1-(phenylsulfonyl)-1H-pyrazol-4-yl)boronic acid
CAS No: 1201643-89-1 Catalog No: AG00HF9E MDL No:MFCD18427608
Product Description
Catalog Number:
AG00HF9E
Chemical Name:
(1-(phenylsulfonyl)-1H-pyrazol-4-yl)boronic acid
CAS Number:
1201643-89-1
Molecular Formula:
C9H9BN2O4S
Molecular Weight:
252.0548
MDL Number:
MFCD18427608
IUPAC Name:
[1-(benzenesulfonyl)pyrazol-4-yl]boronic acid
InChI:
InChI=1S/C9H9BN2O4S/c13-10(14)8-6-11-12(7-8)17(15,16)9-4-2-1-3-5-9/h1-7,13-14H
InChI Key:
UZMQYXNCYUQUJW-UHFFFAOYSA-N
SMILES:
OB(c1cnn(c1)S(=O)(=O)c1ccccc1)O
Properties
Complexity:
351
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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