Name: Name:3-CHLORO-1-METHYL-4-PHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE
Brand: Angene
SKU: AG01DYGW
Rating: 90 (10 reviews)

3-CHLORO-1-METHYL-4-PHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE

CAS No.:

118631-34-8

Catalog Number:

AG01DYGW

Molecular Formula:

C9H8ClN3O

Molecular Weight:

209.6323

Catalog Number:

AG01DYGW

Chemical Name:

3-CHLORO-1-METHYL-4-PHENYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE

CAS Number:

118631-34-8

Molecular Formula:

C9H8ClN3O

Molecular Weight:

209.6323

MDL Number:

MFCD24312077

IUPAC Name:

5-chloro-2-methyl-4-phenyl-1,2,4-triazol-3-one

InChI:

InChI=1S/C9H8ClN3O/c1-12-9(14)13(8(10)11-12)7-5-3-2-4-6-7/h2-6H,1H3

InChI Key:

AYXDDSTZPWUOPC-UHFFFAOYSA-N

SMILES:

Clc1nn(c(=O)n1c1ccccc1)C

Complexity:

273

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

209.633g/mol

Monoisotopic Mass:

209.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2