Name: Name:1H-Pyrazole-3-carboxylic acid, 4-nitro-5-(trifluoromethyl)-
Brand: Angene
SKU: AG0010GW
Rating: 90 (10 reviews)

1H-Pyrazole-3-carboxylic acid, 4-nitro-5-(trifluoromethyl)-

CAS No.:

1322805-15-1

Catalog Number:

AG0010GW

Molecular Formula:

C5H2F3N3O4

Molecular Weight:

225.0823

Catalog Number:

AG0010GW

Chemical Name:

1H-Pyrazole-3-carboxylic acid, 4-nitro-5-(trifluoromethyl)-

CAS Number:

1322805-15-1

Molecular Formula:

C5H2F3N3O4

Molecular Weight:

225.0823

MDL Number:

MFCD11845715

IUPAC Name:

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

InChI:

InChI=1S/C5H2F3N3O4/c6-5(7,8)3-2(11(14)15)1(4(12)13)9-10-3/h(H,9,10)(H,12,13)

InChI Key:

PSUXBAOGDOGJBK-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c(n[nH]c1C(F)(F)F)C(=O)O

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.083g/mol

Monoisotopic Mass:

225g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

112A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8