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918341-65-8 | 4-Thiazoleacetic acid, 2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-
CAS No: 918341-65-8 Catalog No: AG006G4L MDL No:
Product Description
Catalog Number:
AG006G4L
Chemical Name:
4-Thiazoleacetic acid, 2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-
CAS Number:
918341-65-8
Molecular Formula:
C12H8ClF3N2O2S
Molecular Weight:
336.7173
IUPAC Name:
2-[2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C12H8ClF3N2O2S/c13-9-2-1-6(3-8(9)12(14,15)16)17-11-18-7(5-21-11)4-10(19)20/h1-3,5H,4H2,(H,17,18)(H,19,20)
InChI Key:
LVQKAOCUPFHZBP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)Nc1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.995g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.713g/mol
Monoisotopic Mass:
335.995g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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