Name: Name:5-chloro-1-methyl-4-nitro-3-(trifluoromethyl)-1H-pyrazole
Brand: Angene
SKU: AG01BXX7
Rating: 90 (10 reviews)

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

CAS No.:

154357-43-4

Catalog Number:

AG01BXX7

Molecular Formula:

C5H3ClF3N3O2

Molecular Weight:

229.5444

Catalog Number:

AG01BXX7

Chemical Name:

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

CAS Number:

154357-43-4

Molecular Formula:

C5H3ClF3N3O2

Molecular Weight:

229.5444

MDL Number:

MFCD21667401

IUPAC Name:

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

InChI:

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

InChI Key:

QXHBVZNPVARJAE-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c(Cl)n(nc1C(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