Name: Name:2-[3-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
Brand: Angene
SKU: AG00HCZ3
Rating: 90 (10 reviews)

2-[3-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid

CAS No.:

115311-32-5

Catalog Number:

AG00HCZ3

Molecular Formula:

C11H6F3NO2S

Molecular Weight:

273.2310

Catalog Number:

AG00HCZ3

Chemical Name:

2-[3-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid

CAS Number:

115311-32-5

Molecular Formula:

C11H6F3NO2S

Molecular Weight:

273.2310

MDL Number:

MFCD00142039

IUPAC Name:

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

InChI:

InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)9-15-8(5-18-9)10(16)17/h1-5H,(H,16,17)

InChI Key:

OMMDRDBAUFWKPT-UHFFFAOYSA-N

SMILES:

OC(=O)c1csc(n1)c1cccc(c1)C(F)(F)F

Complexity:

324

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

273.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.229g/mol

Monoisotopic Mass:

273.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4