Name: Name:3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-phenyl-
Brand: Angene
SKU: AG019VTB
Rating: 90 (10 reviews)

3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-phenyl-

CAS No.:

939-07-1

Catalog Number:

AG019VTB

Molecular Formula:

C8H7N3O

Molecular Weight:

161.1607

Catalog Number:

AG019VTB

Chemical Name:

3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-phenyl-

CAS Number:

939-07-1

Molecular Formula:

C8H7N3O

Molecular Weight:

161.1607

MDL Number:

MFCD00457971

IUPAC Name:

3-phenyl-1,4-dihydro-1,2,4-triazol-5-one

InChI:

InChI=1S/C8H7N3O/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11,12)

InChI Key:

FFSXNTGAFSVILG-UHFFFAOYSA-N

SMILES:

Oc1[nH]nc(n1)c1ccccc1

NSC Number:

83337

Complexity:

218

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

161.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

161.164g/mol

Monoisotopic Mass:

161.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

53.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9