Name: Name:4-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde
Brand: Angene
SKU: AG01AFQH
Rating: 90 (10 reviews)

4-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde

CAS No.:

1284219-94-8

Catalog Number:

AG01AFQH

Molecular Formula:

C6H5F3N2O

Molecular Weight:

178.1119

Catalog Number:

AG01AFQH

Chemical Name:

4-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbaldehyde

CAS Number:

1284219-94-8

Molecular Formula:

C6H5F3N2O

Molecular Weight:

178.1119

MDL Number:

MFCD12548026

IUPAC Name:

4-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbaldehyde

InChI:

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

InChI Key:

XCMQUYJMNQEMMK-UHFFFAOYSA-N

SMILES:

O=Cc1[nH]nc(c1C)C(F)(F)F

Complexity:

182

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:

1.3