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Home > Boronic Acids > 850033-50-0
850033-50-0 | Boronic acid, [2-methyl-4-(methylsulfonyl)phenyl]-
CAS No: 850033-50-0 Catalog No: AG00IDI7 MDL No:MFCD27935675
Product Description
Catalog Number:
AG00IDI7
Chemical Name:
Boronic acid, [2-methyl-4-(methylsulfonyl)phenyl]-
CAS Number:
850033-50-0
Molecular Formula:
C8H11BO4S
Molecular Weight:
214.0465
MDL Number:
MFCD27935675
IUPAC Name:
(2-methyl-4-methylsulfonylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO4S/c1-6-5-7(14(2,12)13)3-4-8(6)9(10)11/h3-5,10-11H,1-2H3
InChI Key:
KOAZGNLBMZEAMC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1C)S(=O)(=O)C)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.042g/mol
Monoisotopic Mass:
214.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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