Name: Name:1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester
Brand: Angene
SKU: AG000TOM
Rating: 90 (10 reviews)

1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester

CAS No.:

129768-30-5

Catalog Number:

AG000TOM

Molecular Formula:

C7H7F3N2O2

Molecular Weight:

208.1379

Catalog Number:

AG000TOM

Chemical Name:

1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-, ethyl ester

CAS Number:

129768-30-5

Molecular Formula:

C7H7F3N2O2

Molecular Weight:

208.1379

MDL Number:

MFCD04111238

IUPAC Name:

ethyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate

InChI:

InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-5(12-11-4)7(8,9)10/h3H,2H2,1H3,(H,11,12)

InChI Key:

AKFFNTKRAYWFRN-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cc([nH]n1)C(F)(F)F

Complexity:

220

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.14g/mol

Monoisotopic Mass:

208.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7