Name: Name:METHYL 1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-5-CARBOXYLATE
Brand: Angene
SKU: AG01EIDN
Rating: 90 (10 reviews)

METHYL 1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-5-CARBOXYLATE

CAS No.:

1260379-23-4

Catalog Number:

AG01EIDN

Molecular Formula:

C7H7F3N2O2

Molecular Weight:

208.1379

Catalog Number:

AG01EIDN

Chemical Name:

METHYL 1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOLE-5-CARBOXYLATE

CAS Number:

1260379-23-4

Molecular Formula:

C7H7F3N2O2

Molecular Weight:

208.1379

MDL Number:

MFCD18262396

IUPAC Name:

methyl 2-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate

InChI:

InChI=1S/C7H7F3N2O2/c1-14-6(13)5-2-3-11-12(5)4-7(8,9)10/h2-3H,4H2,1H3

InChI Key:

LGEHNOPIXSYEFX-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccnn1CC(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:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5