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1020204-12-9 | Boronic acid, B-[3-(cyclopropylsulfonyl)phenyl]-
CAS No: 1020204-12-9 Catalog No: AG0006BQ MDL No:MFCD11617318
Product Description
Catalog Number:
AG0006BQ
Chemical Name:
Boronic acid, B-[3-(cyclopropylsulfonyl)phenyl]-
CAS Number:
1020204-12-9
Molecular Formula:
C9H11BO4S
Molecular Weight:
226.0572
MDL Number:
MFCD11617318
IUPAC Name:
(3-cyclopropylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO4S/c11-10(12)7-2-1-3-9(6-7)15(13,14)8-4-5-8/h1-3,6,8,11-12H,4-5H2
InChI Key:
GDGRCJSXOCMCCT-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)S(=O)(=O)C1CC1)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.053g/mol
Monoisotopic Mass:
226.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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