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89069-95-4 | Benzamide, N-[[[2-chloro-5-(trifluoromethyl)phenyl]amino]thioxomethyl]-
CAS No: 89069-95-4 Catalog No: AG0040AP MDL No:
Product Description
Catalog Number:
AG0040AP
Chemical Name:
Benzamide, N-[[[2-chloro-5-(trifluoromethyl)phenyl]amino]thioxomethyl]-
CAS Number:
89069-95-4
Molecular Formula:
C15H10ClF3N2OS
Molecular Weight:
358.7659
IUPAC Name:
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide
InChI:
InChI=1S/C15H10ClF3N2OS/c16-11-7-6-10(15(17,18)19)8-12(11)20-14(23)21-13(22)9-4-2-1-3-5-9/h1-8H,(H2,20,21,22,23)
InChI Key:
VIBXULIECXHSSF-UHFFFAOYSA-N
SMILES:
S=C(Nc1cc(ccc1Cl)C(F)(F)F)NC(=O)c1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.015g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.763g/mol
Monoisotopic Mass:
358.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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 |
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