Name: Name:3-chloro-5-phenyl-4-(propan-2-yl)-4H-1,2,4-triazole
Brand: Angene
SKU: AG019MZA
Rating: 90 (10 reviews)

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

CAS No.:

1087792-43-5

Catalog Number:

AG019MZA

Molecular Formula:

C11H12ClN3

Molecular Weight:

221.6861

Catalog Number:

AG019MZA

Chemical Name:

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

CAS Number:

1087792-43-5

Molecular Formula:

C11H12ClN3

Molecular Weight:

221.6861

MDL Number:

MFCD11099607

IUPAC Name:

3-chloro-5-phenyl-4-propan-2-yl-1,2,4-triazole

InChI:

InChI=1S/C11H12ClN3/c1-8(2)15-10(13-14-11(15)12)9-6-4-3-5-7-9/h3-8H,1-2H3

InChI Key:

LNJVYAJPRZHFJW-UHFFFAOYSA-N

SMILES:

CC(n1c(Cl)nnc1c1ccccc1)C

Complexity:

204

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.688g/mol

Monoisotopic Mass:

221.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8