Name: Name:5-Isothiazolecarboxylicacid, 4-amino-3-[3-(trifluoromethyl)phenyl]-
Brand: Angene
SKU: AG008JQG
Rating: 90 (10 reviews)

5-Isothiazolecarboxylicacid, 4-amino-3-[3-(trifluoromethyl)phenyl]-

CAS No.:

82114-19-0

Catalog Number:

AG008JQG

Molecular Formula:

C11H7F3N2O2S

Molecular Weight:

288.2457

Catalog Number:

AG008JQG

Chemical Name:

5-Isothiazolecarboxylicacid, 4-amino-3-[3-(trifluoromethyl)phenyl]-

CAS Number:

82114-19-0

Molecular Formula:

C11H7F3N2O2S

Molecular Weight:

288.2457

MDL Number:

MFCD00867471

IUPAC Name:

4-amino-3-[3-(trifluoromethyl)phenyl]-1,2-thiazole-5-carboxylic acid

InChI:

InChI=1S/C11H7F3N2O2S/c12-11(13,14)6-3-1-2-5(4-6)8-7(15)9(10(17)18)19-16-8/h1-4H,15H2,(H,17,18)

InChI Key:

KVMCEGAWQYTFKC-UHFFFAOYSA-N

SMILES:

OC(=O)c1snc(c1N)c1cccc(c1)C(F)(F)F

UNII:

83N680M457

Complexity:

353

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.018g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.244g/mol

Monoisotopic Mass:

288.018g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3