Name: Name:1H-1,2,4-Triazole-1-acetic acid, 3-nitro-, ethyl ester
Brand: Angene
SKU: AG005PEF
Rating: 90 (10 reviews)

1H-1,2,4-Triazole-1-acetic acid, 3-nitro-, ethyl ester

CAS No.:

70965-24-1

Catalog Number:

AG005PEF

Molecular Formula:

C6H8N4O4

Molecular Weight:

200.1521

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Product Description

Catalog Number:

AG005PEF

Chemical Name:

1H-1,2,4-Triazole-1-acetic acid, 3-nitro-, ethyl ester

CAS Number:

70965-24-1

Molecular Formula:

C6H8N4O4

Molecular Weight:

200.1521

MDL Number:

MFCD00297199

IUPAC Name:

ethyl 2-(3-nitro-1,2,4-triazol-1-yl)acetate

InChI:

InChI=1S/C6H8N4O4/c1-2-14-5(11)3-9-4-7-6(8-9)10(12)13/h4H,2-3H2,1H3

InChI Key:

IJKYMLBNYHCLIH-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1nn(cn1)CC(=O)OCC

Properties

Complexity:

228

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.154g/mol

Monoisotopic Mass:

200.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties