Name: Name:3-chloro-4-(4-fluorobenzyl)-4H-1,2,4-triazole
Brand: Angene
SKU: AG01BJ86
Rating: 90 (10 reviews)

3-chloro-4-(4-fluorobenzyl)-4H-1,2,4-triazole

CAS No.:

1019033-05-6

Catalog Number:

AG01BJ86

Molecular Formula:

C9H7ClFN3

Molecular Weight:

211.6234

Catalog Number:

AG01BJ86

Chemical Name:

3-chloro-4-(4-fluorobenzyl)-4H-1,2,4-triazole

CAS Number:

1019033-05-6

Molecular Formula:

C9H7ClFN3

Molecular Weight:

211.6234

MDL Number:

MFCD09995796

IUPAC Name:

3-chloro-4-[(4-fluorophenyl)methyl]-1,2,4-triazole

InChI:

InChI=1S/C9H7ClFN3/c10-9-13-12-6-14(9)5-7-1-3-8(11)4-2-7/h1-4,6H,5H2

InChI Key:

XVQFHJMDQZDCBV-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)Cn1cnnc1Cl

Complexity:

185

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.624g/mol

Monoisotopic Mass:

211.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1