Name: Name:1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethan-1-one
Brand: Angene
SKU: AG01EJTP
Rating: 90 (10 reviews)

1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethan-1-one

CAS No.:

2104659-24-5

Catalog Number:

AG01EJTP

Molecular Formula:

C6H5F3N2O

Molecular Weight:

178.1119

Catalog Number:

AG01EJTP

Chemical Name:

1-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethan-1-one

CAS Number:

2104659-24-5

Molecular Formula:

C6H5F3N2O

Molecular Weight:

178.1119

MDL Number:

MFCD22065920

IUPAC Name:

1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]ethanone

InChI:

InChI=1S/C6H5F3N2O/c1-3(12)4-2-5(11-10-4)6(7,8)9/h2H,1H3,(H,10,11)

InChI Key:

ZCINKELYVYKGIL-UHFFFAOYSA-N

SMILES:

CC(=O)c1[nH]nc(c1)C(F)(F)F

Complexity:

192

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

178.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

178.114g/mol

Monoisotopic Mass:

178.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2