Name: Name:1H-Pyrazole-4-carbonyl chloride, 1-(4-chlorophenyl)-5-(trifluoromethyl)-
Brand: Angene
SKU: AG0020B2
Rating: 90 (10 reviews)

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

CAS No.:

175137-19-6

Catalog Number:

AG0020B2

Molecular Formula:

C11H5Cl2F3N2O

Molecular Weight:

309.0714

Catalog Number:

AG0020B2

Chemical Name:

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

CAS Number:

175137-19-6

Molecular Formula:

C11H5Cl2F3N2O

Molecular Weight:

309.0714

MDL Number:

MFCD00068143

IUPAC Name:

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

InChI:

InChI=1S/C11H5Cl2F3N2O/c12-6-1-3-7(4-2-6)18-9(11(14,15)16)8(5-17-18)10(13)19/h1-5H

InChI Key:

NEJFCXJQJOAJMO-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)Cl

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

307.973g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

309.069g/mol

Monoisotopic Mass:

307.973g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

34.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9