Name: Name:5-(difluoromethyl)-3-(propan-2-yl)-1H-1,2,4-triazole
Brand: Angene
SKU: AG01AF77
Rating: 90 (10 reviews)

5-(difluoromethyl)-3-(propan-2-yl)-1H-1,2,4-triazole

CAS No.:

1251034-69-1

Catalog Number:

AG01AF77

Molecular Formula:

C6H9F2N3

Molecular Weight:

161.1526

Catalog Number:

AG01AF77

Chemical Name:

5-(difluoromethyl)-3-(propan-2-yl)-1H-1,2,4-triazole

CAS Number:

1251034-69-1

Molecular Formula:

C6H9F2N3

Molecular Weight:

161.1526

MDL Number:

MFCD14627920

IUPAC Name:

5-(difluoromethyl)-3-propan-2-yl-1H-1,2,4-triazole

InChI:

InChI=1S/C6H9F2N3/c1-3(2)5-9-6(4(7)8)11-10-5/h3-4H,1-2H3,(H,9,10,11)

InChI Key:

IOIXQNULIKCUTE-UHFFFAOYSA-N

SMILES:

CC(c1n[nH]c(n1)C(F)F)C

Complexity:

129

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

161.076g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

161.156g/mol

Monoisotopic Mass:

161.076g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8