Name: Name:3-benzoyl-4H-1,2,4-triazole
Brand: Angene
SKU: AG01E92K
Rating: 90 (10 reviews)

3-benzoyl-4H-1,2,4-triazole

CAS No.:

18011-19-3

Catalog Number:

AG01E92K

Molecular Formula:

C9H7N3O

Molecular Weight:

173.1714

Catalog Number:

AG01E92K

Chemical Name:

3-benzoyl-4H-1,2,4-triazole

CAS Number:

18011-19-3

Molecular Formula:

C9H7N3O

Molecular Weight:

173.1714

MDL Number:

MFCD21194718

IUPAC Name:

phenyl(1H-1,2,4-triazol-5-yl)methanone

InChI:

InChI=1S/C9H7N3O/c13-8(9-10-6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11,12)

InChI Key:

IPXBPSDPZBUVNK-UHFFFAOYSA-N

SMILES:

O=C(c1nnc[nH]1)c1ccccc1

Complexity:

189

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.175g/mol

Monoisotopic Mass:

173.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7