Name: Name:3-chloro-5-phenyl-4H-1,2,4-triazole
Brand: Angene
SKU: AG01BJ1Z
Rating: 90 (10 reviews)

3-chloro-5-phenyl-4H-1,2,4-triazole

CAS No.:

31803-05-1

Catalog Number:

AG01BJ1Z

Molecular Formula:

C8H6ClN3

Molecular Weight:

179.6063

Catalog Number:

AG01BJ1Z

Chemical Name:

3-chloro-5-phenyl-4H-1,2,4-triazole

CAS Number:

31803-05-1

Molecular Formula:

C8H6ClN3

Molecular Weight:

179.6063

MDL Number:

MFCD09995765

IUPAC Name:

5-chloro-3-phenyl-1H-1,2,4-triazole

InChI:

InChI=1S/C8H6ClN3/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11,12)

InChI Key:

WUGMRLNXPOGSCB-UHFFFAOYSA-N

SMILES:

Clc1nnc([nH]1)c1ccccc1

Complexity:

147

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.607g/mol

Monoisotopic Mass:

179.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6