Name: Name:3-CHLORO-1-METHYL-4-NITRO-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE
Brand: Angene
SKU: AG01DVRR
Rating: 90 (10 reviews)

3-CHLORO-1-METHYL-4-NITRO-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE

CAS No.:

161038-58-0

Catalog Number:

AG01DVRR

Molecular Formula:

C5H3ClF3N3O2

Molecular Weight:

229.5444

Catalog Number:

AG01DVRR

Chemical Name:

3-CHLORO-1-METHYL-4-NITRO-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE

CAS Number:

161038-58-0

Molecular Formula:

C5H3ClF3N3O2

Molecular Weight:

229.5444

MDL Number:

MFCD17267520

IUPAC Name:

3-chloro-1-methyl-4-nitro-5-(trifluoromethyl)pyrazole

InChI:

InChI=1S/C5H3ClF3N3O2/c1-11-3(5(7,8)9)2(12(13)14)4(6)10-11/h1H3

InChI Key:

FLHJFSYGFJOUGD-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c(Cl)nn(c1C(F)(F)F)C

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.987g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.543g/mol

Monoisotopic Mass:

228.987g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9