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926229-53-0 | 5-(dimethylsulfamoyl)-2-iodobenzoic acid
CAS No: 926229-53-0 Catalog No: AG00IH97 MDL No:MFCD09048286
Product Description
Catalog Number:
AG00IH97
Chemical Name:
5-(dimethylsulfamoyl)-2-iodobenzoic acid
CAS Number:
926229-53-0
Molecular Formula:
C9H10INO4S
Molecular Weight:
355.1495
MDL Number:
MFCD09048286
IUPAC Name:
5-(dimethylsulfamoyl)-2-iodobenzoic acid
InChI:
InChI=1S/C9H10INO4S/c1-11(2)16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5H,1-2H3,(H,12,13)
InChI Key:
LHJQLURGRCULNZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1I)S(=O)(=O)N(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.938g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.146g/mol
Monoisotopic Mass:
354.938g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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