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1152274-62-8 | Boronic acid, B-[2-methyl-4-[(methylamino)sulfonyl]phenyl]-
CAS No: 1152274-62-8 Catalog No: AG000GGL MDL No:MFCD13195666
Product Description
Catalog Number:
AG000GGL
Chemical Name:
Boronic acid, B-[2-methyl-4-[(methylamino)sulfonyl]phenyl]-
CAS Number:
1152274-62-8
Molecular Formula:
C8H12BNO4S
Molecular Weight:
229.0612
MDL Number:
MFCD13195666
IUPAC Name:
[2-methyl-4-(methylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C8H12BNO4S/c1-6-5-7(15(13,14)10-2)3-4-8(6)9(11)12/h3-5,10-12H,1-2H3
InChI Key:
SIHCFZOHSIYOOL-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1ccc(c(c1)C)B(O)O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.057g/mol
Monoisotopic Mass:
229.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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