Name: Name:1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carbaldehyde
Brand: Angene
SKU: AG00JG63
Rating: 90 (10 reviews)

1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carbaldehyde

CAS No.:

1310379-34-0

Catalog Number:

AG00JG63

Molecular Formula:

C6H5F3N2O

Molecular Weight:

178.1119

Catalog Number:

AG00JG63

Chemical Name:

1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carbaldehyde

CAS Number:

1310379-34-0

Molecular Formula:

C6H5F3N2O

Molecular Weight:

178.1119

MDL Number:

MFCD20491493

IUPAC Name:

1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde

InChI:

InChI=1S/C6H5F3N2O/c7-6(8,9)4-11-2-1-5(3-12)10-11/h1-3H,4H2

InChI Key:

ZNLLEBGUAHMMHC-UHFFFAOYSA-N

SMILES:

O=Cc1ccn(n1)CC(F)(F)F

Complexity:

171

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:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1