Name: Name:1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01A6UT
Rating: 90 (10 reviews)

1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylic acid

CAS No.:

1342402-27-0

Catalog Number:

AG01A6UT

Molecular Formula:

C7H7F3N2O2

Molecular Weight:

208.1379

Catalog Number:

AG01A6UT

Chemical Name:

1-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxylic acid

CAS Number:

1342402-27-0

Molecular Formula:

C7H7F3N2O2

Molecular Weight:

208.1379

MDL Number:

MFCD20353272

IUPAC Name:

1-(3,3,3-trifluoropropyl)pyrazole-4-carboxylic acid

InChI:

InChI=1S/C7H7F3N2O2/c8-7(9,10)1-2-12-4-5(3-11-12)6(13)14/h3-4H,1-2H2,(H,13,14)

InChI Key:

LMCXKNYGYVZXQL-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnn(c1)CCC(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:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2