Name: Name:4-nitro-3-(2,2,2-trifluoroethoxy)-1H-pyrazole
Brand: Angene
SKU: AG01AOTF
Rating: 90 (10 reviews)

4-nitro-3-(2,2,2-trifluoroethoxy)-1H-pyrazole

CAS No.:

1795502-95-2

Catalog Number:

AG01AOTF

Molecular Formula:

C5H4F3N3O3

Molecular Weight:

211.0988

Catalog Number:

AG01AOTF

Chemical Name:

4-nitro-3-(2,2,2-trifluoroethoxy)-1H-pyrazole

CAS Number:

1795502-95-2

Molecular Formula:

C5H4F3N3O3

Molecular Weight:

211.0988

MDL Number:

MFCD28962815

IUPAC Name:

4-nitro-5-(2,2,2-trifluoroethoxy)-1H-pyrazole

InChI:

InChI=1S/C5H4F3N3O3/c6-5(7,8)2-14-4-3(11(12)13)1-9-10-4/h1H,2H2,(H,9,10)

InChI Key:

SQBQEISGQOXJMX-UHFFFAOYSA-N

SMILES:

FC(COc1n[nH]cc1[N+](=O)[O-])(F)F

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.1g/mol

Monoisotopic Mass:

211.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5