Name: Name:Methyl 2-(3-nitro-1H-1,2,4-triazol-1-yl);acetate
Brand: Angene
SKU: AG005FK4
Rating: 90 (10 reviews)

Methyl 2-(3-nitro-1H-1,2,4-triazol-1-yl);acetate

CAS No.:

70965-23-0

Catalog Number:

AG005FK4

Molecular Formula:

C5H6N4O4

Molecular Weight:

186.1255

Catalog Number:

AG005FK4

Chemical Name:

Methyl 2-(3-nitro-1H-1,2,4-triazol-1-yl);acetate

CAS Number:

70965-23-0

Molecular Formula:

C5H6N4O4

Molecular Weight:

186.1255

MDL Number:

MFCD01027023

IUPAC Name:

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

InChI:

InChI=1S/C5H6N4O4/c1-13-4(10)2-8-3-6-5(7-8)9(11)12/h3H,2H2,1H3

InChI Key:

XBISXCYXLGZZFH-UHFFFAOYSA-N

SMILES:

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

NSC Number:

321250

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

186.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.127g/mol

Monoisotopic Mass:

186.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4