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1261996-26-2 | [1,1'-Biphenyl]-3-carboxylic acid, 2'-[(dimethylamino)sulfonyl]-5-fluoro-
CAS No: 1261996-26-2 Catalog No: AG000SBB MDL No:MFCD18322934
Product Description
Catalog Number:
AG000SBB
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2'-[(dimethylamino)sulfonyl]-5-fluoro-
CAS Number:
1261996-26-2
Molecular Formula:
C15H14FNO4S
Molecular Weight:
323.3394
MDL Number:
MFCD18322934
IUPAC Name:
3-[2-(dimethylsulfamoyl)phenyl]-5-fluorobenzoic acid
InChI:
InChI=1S/C15H14FNO4S/c1-17(2)22(20,21)14-6-4-3-5-13(14)10-7-11(15(18)19)9-12(16)8-10/h3-9H,1-2H3,(H,18,19)
InChI Key:
LWEJEDLHFHRGPV-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)C(=O)O)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:
323.063g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.338g/mol
Monoisotopic Mass:
323.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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