Name: Name:3-CHLORO-5-(2,2,2-TRIFLUOROETHYL)-4H-1,2,4-TRIAZOLE
Brand: Angene
SKU: AG01DVA0
Rating: 90 (10 reviews)

3-CHLORO-5-(2,2,2-TRIFLUOROETHYL)-4H-1,2,4-TRIAZOLE

CAS No.:

1340078-75-2

Catalog Number:

AG01DVA0

Molecular Formula:

C4H3ClF3N3

Molecular Weight:

185.5349

Catalog Number:

AG01DVA0

Chemical Name:

3-CHLORO-5-(2,2,2-TRIFLUOROETHYL)-4H-1,2,4-TRIAZOLE

CAS Number:

1340078-75-2

Molecular Formula:

C4H3ClF3N3

Molecular Weight:

185.5349

MDL Number:

MFCD20285444

IUPAC Name:

3-chloro-5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole

InChI:

InChI=1S/C4H3ClF3N3/c5-3-9-2(10-11-3)1-4(6,7)8/h1H2,(H,9,10,11)

InChI Key:

LMJIQUPBRNUUOX-UHFFFAOYSA-N

SMILES:

FC(Cc1nnc([nH]1)Cl)(F)F

Complexity:

139

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

184.997g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

185.534g/mol

Monoisotopic Mass:

184.997g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4