Name: Name:1-[1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one
Brand: Angene
SKU: AG019WFK
Rating: 90 (10 reviews)

1-[1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one

CAS No.:

1017399-61-9

Catalog Number:

AG019WFK

Molecular Formula:

C11H10ClN3O

Molecular Weight:

235.6696

Catalog Number:

AG019WFK

Chemical Name:

1-[1-(3-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethan-1-one

CAS Number:

1017399-61-9

Molecular Formula:

C11H10ClN3O

Molecular Weight:

235.6696

MDL Number:

MFCD10003319

IUPAC Name:

1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethanone

InChI:

InChI=1S/C11H10ClN3O/c1-7-11(8(2)16)13-14-15(7)10-5-3-4-9(12)6-10/h3-6H,1-2H3

InChI Key:

LABPIJKUOMAUTO-UHFFFAOYSA-N

SMILES:

Clc1cccc(c1)n1nnc(c1C)C(=O)C

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.671g/mol

Monoisotopic Mass:

235.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4