Name: Name:Methyl 3-chloro-1h-1,2,4-triazole-5-carboxylate
Brand: Angene
SKU: AG006ZX7
Rating: 90 (10 reviews)

Methyl 3-chloro-1h-1,2,4-triazole-5-carboxylate

CAS No.:

21733-05-1

Catalog Number:

AG006ZX7

Molecular Formula:

C4H4ClN3O2

Molecular Weight:

161.5465

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$168

- +

95%

In Stock USA

United States

$444

- +

Catalog Number:

AG006ZX7

Chemical Name:

Methyl 3-chloro-1h-1,2,4-triazole-5-carboxylate

CAS Number:

21733-05-1

Molecular Formula:

C4H4ClN3O2

Molecular Weight:

161.5465

MDL Number:

MFCD13188593

IUPAC Name:

methyl 5-chloro-1H-1,2,4-triazole-3-carboxylate

InChI:

InChI=1S/C4H4ClN3O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H,6,7,8)

InChI Key:

NDZVUEAMBRJIIJ-UHFFFAOYSA-N

SMILES:

COC(=O)c1nnc([nH]1)Cl

Complexity:

143

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

160.999g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

161.545g/mol

Monoisotopic Mass:

160.999g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1