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1261939-26-7 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-2'-[(dimethylamino)sulfonyl]-
CAS No: 1261939-26-7 Catalog No: AG000S77 MDL No:MFCD18322942
Product Description
Catalog Number:
AG000S77
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-2'-[(dimethylamino)sulfonyl]-
CAS Number:
1261939-26-7
Molecular Formula:
C15H14ClNO4S
Molecular Weight:
339.7940
MDL Number:
MFCD18322942
IUPAC Name:
2-chloro-4-[2-(dimethylsulfamoyl)phenyl]benzoic acid
InChI:
InChI=1S/C15H14ClNO4S/c1-17(2)22(20,21)14-6-4-3-5-11(14)10-7-8-12(15(18)19)13(16)9-10/h3-9H,1-2H3,(H,18,19)
InChI Key:
CUJDYYKXRFEKKF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)c1ccccc1S(=O)(=O)N(C)C
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.033g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.79g/mol
Monoisotopic Mass:
339.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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