Name: Name:1-(5-METHYL-1-PHENYL-1H-1,2,4-TRIAZOL-3-YL)ETHANONE
Brand: Angene
SKU: AG01DWUR
Rating: 90 (10 reviews)

1-(5-METHYL-1-PHENYL-1H-1,2,4-TRIAZOL-3-YL)ETHANONE

CAS No.:

92289-44-6

Catalog Number:

AG01DWUR

Molecular Formula:

C11H11N3O

Molecular Weight:

201.2245

Catalog Number:

AG01DWUR

Chemical Name:

1-(5-METHYL-1-PHENYL-1H-1,2,4-TRIAZOL-3-YL)ETHANONE

CAS Number:

92289-44-6

Molecular Formula:

C11H11N3O

Molecular Weight:

201.2245

MDL Number:

MFCD16619670

IUPAC Name:

1-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)ethanone

InChI:

InChI=1S/C11H11N3O/c1-8(15)11-12-9(2)14(13-11)10-6-4-3-5-7-10/h3-7H,1-2H3

InChI Key:

CFEJCYQQBWLPQI-UHFFFAOYSA-N

SMILES:

CC(=O)c1nn(c(n1)C)c1ccccc1

Complexity:

238

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

201.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

201.229g/mol

Monoisotopic Mass:

201.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1