Name: Name:1H-1,2,4-Triazole, 1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-
Brand: Angene
SKU: AG000WJD
Rating: 90 (10 reviews)

1H-1,2,4-Triazole, 1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-

CAS No.:

127000-90-2

Catalog Number:

AG000WJD

Molecular Formula:

C12H11F2N3O

Molecular Weight:

251.2320

Catalog Number:

AG000WJD

Chemical Name:

1H-1,2,4-Triazole, 1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiranyl]methyl]-

CAS Number:

127000-90-2

Molecular Formula:

C12H11F2N3O

Molecular Weight:

251.2320

MDL Number:

MFCD09833867

IUPAC Name:

1-[[(2R,3S)-2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole

InChI:

InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-3-2-9(13)4-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12+/m0/s1

InChI Key:

QANJLSHZDUOBBP-QPUJVOFHSA-N

SMILES:

Fc1ccc(c(c1)F)[C@]1(Cn2cncn2)O[C@H]1C

Complexity:

320

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.087g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.237g/mol

Monoisotopic Mass:

251.087g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5