Name: Name:3-(2-bromophenyl)-5-methyl-4H-1,2,4-triazole
Brand: Angene
SKU: AG01DXAL
Rating: 90 (10 reviews)

3-(2-bromophenyl)-5-methyl-4H-1,2,4-triazole

CAS No.:

1094653-15-2

Catalog Number:

AG01DXAL

Molecular Formula:

C9H8BrN3

Molecular Weight:

238.0839

Catalog Number:

AG01DXAL

Chemical Name:

3-(2-bromophenyl)-5-methyl-4H-1,2,4-triazole

CAS Number:

1094653-15-2

Molecular Formula:

C9H8BrN3

Molecular Weight:

238.0839

MDL Number:

MFCD19381956

IUPAC Name:

3-(2-bromophenyl)-5-methyl-1H-1,2,4-triazole

InChI:

InChI=1S/C9H8BrN3/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,1H3,(H,11,12,13)

InChI Key:

JAQOQUJKQHCSOM-UHFFFAOYSA-N

SMILES:

Brc1ccccc1c1nnc([nH]1)C

Complexity:

176

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.99g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.088g/mol

Monoisotopic Mass:

236.99g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7