Name: Name:1-(2,2-difluoroethyl)-4-nitro-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG01AO9O
Rating: 90 (10 reviews)

1-(2,2-difluoroethyl)-4-nitro-1H-pyrazole-3-carboxylic acid

CAS No.:

1006442-59-6

Catalog Number:

AG01AO9O

Molecular Formula:

C6H5F2N3O4

Molecular Weight:

221.1184

Catalog Number:

AG01AO9O

Chemical Name:

1-(2,2-difluoroethyl)-4-nitro-1H-pyrazole-3-carboxylic acid

CAS Number:

1006442-59-6

Molecular Formula:

C6H5F2N3O4

Molecular Weight:

221.1184

MDL Number:

MFCD08696514

IUPAC Name:

1-(2,2-difluoroethyl)-4-nitropyrazole-3-carboxylic acid

InChI:

InChI=1S/C6H5F2N3O4/c7-4(8)2-10-1-3(11(14)15)5(9-10)6(12)13/h1,4H,2H2,(H,12,13)

InChI Key:

NZBRUISOPCXFMB-UHFFFAOYSA-N

SMILES:

FC(Cn1nc(c(c1)[N+](=O)[O-])C(=O)O)F

Complexity:

270

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.12g/mol

Monoisotopic Mass:

221.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7