Name: Name:2-chloro-1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-one
Brand: Angene
SKU: AG01C5BZ
Rating: 90 (10 reviews)

2-chloro-1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-one

CAS No.:

1849310-14-0

Catalog Number:

AG01C5BZ

Molecular Formula:

C5H6ClN3O

Molecular Weight:

159.5736

Catalog Number:

AG01C5BZ

Chemical Name:

2-chloro-1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-one

CAS Number:

1849310-14-0

Molecular Formula:

C5H6ClN3O

Molecular Weight:

159.5736

MDL Number:

MFCD29763367

IUPAC Name:

2-chloro-1-(1-methyltriazol-4-yl)ethanone

InChI:

InChI=1S/C5H6ClN3O/c1-9-3-4(7-8-9)5(10)2-6/h3H,2H2,1H3

InChI Key:

ITGICIXXKKKYJQ-UHFFFAOYSA-N

SMILES:

Cn1cc(nn1)C(=O)CCl

Complexity:

141

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

159.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

159.573g/mol

Monoisotopic Mass:

159.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

47.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3