Name: Name:5-(difluoromethyl)-3-propyl-1H-1,2,4-triazole
Brand: Angene
SKU: AG01BGSS
Rating: 90 (10 reviews)

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

CAS No.:

1248604-96-7

Catalog Number:

AG01BGSS

Molecular Formula:

C6H9F2N3

Molecular Weight:

161.1526

Catalog Number:

AG01BGSS

Chemical Name:

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

CAS Number:

1248604-96-7

Molecular Formula:

C6H9F2N3

Molecular Weight:

161.1526

MDL Number:

MFCD14628034

IUPAC Name:

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

InChI:

InChI=1S/C6H9F2N3/c1-2-3-4-9-6(5(7)8)11-10-4/h5H,2-3H2,1H3,(H,9,10,11)

InChI Key:

NKJRYSOSAXTUHE-UHFFFAOYSA-N

SMILES:

CCCc1n[nH]c(n1)C(F)F

Complexity:

120

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