Name: Name:1-[3-(4H-1,2,4-triazol-4-yl)phenyl]ethan-1-one
Brand: Angene
SKU: AG01AMQ4
Rating: 90 (10 reviews)

1-[3-(4H-1,2,4-triazol-4-yl)phenyl]ethan-1-one

CAS No.:

1515012-63-1

Catalog Number:

AG01AMQ4

Molecular Formula:

C10H9N3O

Molecular Weight:

187.1980

Catalog Number:

AG01AMQ4

Chemical Name:

1-[3-(4H-1,2,4-triazol-4-yl)phenyl]ethan-1-one

CAS Number:

1515012-63-1

Molecular Formula:

C10H9N3O

Molecular Weight:

187.1980

MDL Number:

MFCD23745057

IUPAC Name:

1-[3-(1,2,4-triazol-4-yl)phenyl]ethanone

InChI:

InChI=1S/C10H9N3O/c1-8(14)9-3-2-4-10(5-9)13-6-11-12-7-13/h2-7H,1H3

InChI Key:

FNXYBMILANRLDX-UHFFFAOYSA-N

SMILES:

CC(=O)c1cccc(c1)n1cnnc1

Complexity:

213

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

187.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

187.202g/mol

Monoisotopic Mass:

187.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8