Name: Name:2-[4-nitro-3-(trifluoromethyl)phenyl]-2H-1,2,3-triazole
Brand: Angene
SKU: AG01E91N
Rating: 90 (10 reviews)

2-[4-nitro-3-(trifluoromethyl)phenyl]-2H-1,2,3-triazole

CAS No.:

2094207-20-0

Catalog Number:

AG01E91N

Molecular Formula:

C9H5F3N4O2

Molecular Weight:

258.1568

Catalog Number:

AG01E91N

Chemical Name:

2-[4-nitro-3-(trifluoromethyl)phenyl]-2H-1,2,3-triazole

CAS Number:

2094207-20-0

Molecular Formula:

C9H5F3N4O2

Molecular Weight:

258.1568

MDL Number:

MFCD30749922

IUPAC Name:

2-[4-nitro-3-(trifluoromethyl)phenyl]triazole

InChI:

InChI=1S/C9H5F3N4O2/c10-9(11,12)7-5-6(15-13-3-4-14-15)1-2-8(7)16(17)18/h1-5H

InChI Key:

FNHLKZNKVJCINB-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc(cc1C(F)(F)F)n1nccn1

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.16g/mol

Monoisotopic Mass:

258.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1