Name: Name:1H-Pyrazole-4-carbonyl chloride, 1-(4-nitrophenyl)-5-(trifluoromethyl)-
Brand: Angene
SKU: AG0020BZ
Rating: 90 (10 reviews)

1H-Pyrazole-4-carbonyl chloride, 1-(4-nitrophenyl)-5-(trifluoromethyl)-

CAS No.:

175137-36-7

Catalog Number:

AG0020BZ

Molecular Formula:

C11H5ClF3N3O3

Molecular Weight:

319.6239

Catalog Number:

AG0020BZ

Chemical Name:

1H-Pyrazole-4-carbonyl chloride, 1-(4-nitrophenyl)-5-(trifluoromethyl)-

CAS Number:

175137-36-7

Molecular Formula:

C11H5ClF3N3O3

Molecular Weight:

319.6239

MDL Number:

MFCD00173866

IUPAC Name:

1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride

InChI:

InChI=1S/C11H5ClF3N3O3/c12-10(19)8-5-16-17(9(8)11(13,14)15)6-1-3-7(4-2-6)18(20)21/h1-5H

InChI Key:

PDHQPPLHVFKVOQ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)Cl

Complexity:

421

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

318.997g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

319.624g/mol

Monoisotopic Mass:

318.997g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1