Name: Name:5-(1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-YL)THIOPHENE-2-CARBOXYLIC ACID
Brand: Angene
SKU: AG00BEOT
Rating: 90 (10 reviews)

5-(1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-YL)THIOPHENE-2-CARBOXYLIC ACID

CAS No.:

223499-20-5

Catalog Number:

AG00BEOT

Molecular Formula:

C10H7F3N2O2S

Molecular Weight:

276.2350

Catalog Number:

AG00BEOT

Chemical Name:

5-(1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-YL)THIOPHENE-2-CARBOXYLIC ACID

CAS Number:

223499-20-5

Molecular Formula:

C10H7F3N2O2S

Molecular Weight:

276.2350

MDL Number:

MFCD00206674

IUPAC Name:

5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxylic acid

InChI:

InChI=1S/C10H7F3N2O2S/c1-15-8(10(11,12)13)4-5(14-15)6-2-3-7(18-6)9(16)17/h2-4H,1H3,(H,16,17)

InChI Key:

MGYVPTDPOYVOQK-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(s1)c1nn(c(c1)C(F)(F)F)C

Complexity:

340

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

276.018g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

276.233g/mol

Monoisotopic Mass:

276.018g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4