Name: Name:4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride
Brand: Angene
SKU: AG01BBSO
Rating: 90 (10 reviews)

4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride

CAS No.:

1803565-87-8

Catalog Number:

AG01BBSO

Molecular Formula:

C4H3F4N3O2S

Molecular Weight:

233.1441

Catalog Number:

AG01BBSO

Chemical Name:

4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazole-3-sulfonyl fluoride

CAS Number:

1803565-87-8

Molecular Formula:

C4H3F4N3O2S

Molecular Weight:

233.1441

MDL Number:

MFCD28714598

IUPAC Name:

4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-sulfonyl fluoride

InChI:

InChI=1S/C4H3F4N3O2S/c1-11-2(4(5,6)7)9-10-3(11)14(8,12)13/h1H3

InChI Key:

MMBYGWZHTYRMDG-UHFFFAOYSA-N

SMILES:

Cn1c(nnc1S(=O)(=O)F)C(F)(F)F

Complexity:

310

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.988g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.141g/mol

Monoisotopic Mass:

232.988g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5