Name: Name:methyl 2-[4-(chloromethyl)-1H-1,2,3-triazol-1-yl]acetate
Brand: Angene
SKU: AG01AN4G
Rating: 90 (10 reviews)

methyl 2-[4-(chloromethyl)-1H-1,2,3-triazol-1-yl]acetate

CAS No.:

1387563-28-1

Catalog Number:

AG01AN4G

Molecular Formula:

C6H8ClN3O2

Molecular Weight:

189.5996

Catalog Number:

AG01AN4G

Chemical Name:

methyl 2-[4-(chloromethyl)-1H-1,2,3-triazol-1-yl]acetate

CAS Number:

1387563-28-1

Molecular Formula:

C6H8ClN3O2

Molecular Weight:

189.5996

MDL Number:

MFCD22378303

IUPAC Name:

methyl 2-[4-(chloromethyl)triazol-1-yl]acetate

InChI:

InChI=1S/C6H8ClN3O2/c1-12-6(11)4-10-3-5(2-7)8-9-10/h3H,2,4H2,1H3

InChI Key:

ZVFKLLJKTFIJIQ-UHFFFAOYSA-N

SMILES:

COC(=O)Cn1cc(nn1)CCl

Complexity:

167

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

189.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.599g/mol

Monoisotopic Mass:

189.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.1