Name: Name:1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
Brand: Angene
SKU: AG01EKL1
Rating: 90 (10 reviews)

1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

CAS No.:

1226890-61-4

Catalog Number:

AG01EKL1

Molecular Formula:

C8H4F8N2O2

Molecular Weight:

312.1168

Catalog Number:

AG01EKL1

Chemical Name:

1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

CAS Number:

1226890-61-4

Molecular Formula:

C8H4F8N2O2

Molecular Weight:

312.1168

MDL Number:

MFCD30531090

IUPAC Name:

2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-3-carboxylic acid

InChI:

InChI=1S/C8H4F8N2O2/c1-18-3(5(19)20)2(7(11,12)13)4(17-18)6(9,10)8(14,15)16/h1H3,(H,19,20)

InChI Key:

NQACFNIHDULWSY-UHFFFAOYSA-N

SMILES:

OC(=O)c1n(C)nc(c1C(F)(F)F)C(C(F)(F)F)(F)F

Complexity:

393

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.015g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.119g/mol

Monoisotopic Mass:

312.015g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6