Name: Name:2-(trifluoromethyl)-1,3-benzothiazole-4-carboxylic acid
Brand: Angene
SKU: AG01C1TM
Rating: 90 (10 reviews)

2-(trifluoromethyl)-1,3-benzothiazole-4-carboxylic acid

CAS No.:

1781508-50-6

Catalog Number:

AG01C1TM

Molecular Formula:

C9H4F3NO2S

Molecular Weight:

247.1938

Catalog Number:

AG01C1TM

Chemical Name:

2-(trifluoromethyl)-1,3-benzothiazole-4-carboxylic acid

CAS Number:

1781508-50-6

Molecular Formula:

C9H4F3NO2S

Molecular Weight:

247.1938

MDL Number:

MFCD28535811

IUPAC Name:

2-(trifluoromethyl)-1,3-benzothiazole-4-carboxylic acid

InChI:

InChI=1S/C9H4F3NO2S/c10-9(11,12)8-13-6-4(7(14)15)2-1-3-5(6)16-8/h1-3H,(H,14,15)

InChI Key:

JFVHMQXKZFMJLR-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc2c1nc(s2)C(F)(F)F

Complexity:

297

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

246.991g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.191g/mol

Monoisotopic Mass:

246.991g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8