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Home Sulfos Benzoic acid, 2-[[[3-(trifluoromethyl)phenyl]sulfonyl]amino]-

Benzoic acid, 2-[[[3-(trifluoromethyl)phenyl]sulfonyl]amino]-

CAS No.:
306955-85-1
Catalog Number:
AG0030YW
Molecular Formula:
C14H10F3NO4S
Molecular Weight:
345.2937
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Product Description
Catalog Number:
AG0030YW
Chemical Name:
Benzoic acid, 2-[[[3-(trifluoromethyl)phenyl]sulfonyl]amino]-
CAS Number:
306955-85-1
Molecular Formula:
C14H10F3NO4S
Molecular Weight:
345.2937
MDL Number:
MFCD00149134
IUPAC Name:
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
InChI:
InChI=1S/C14H10F3NO4S/c15-14(16,17)9-4-3-5-10(8-9)23(21,22)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)
InChI Key:
STTDXJDJQQYOPK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
529  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.028g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
345.292g/mol
Monoisotopic Mass:
345.028g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties