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Home > Encyclopedia > methyl 3-nitro-1H-1,2,4-triazole-5-carboxylate

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

methyl 3-nitro-1H-1,2,4-triazole-5-carboxylate structure

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

structure
  • CAS No:

    21733-00-6

  • Formula:

    C4H4N4O4

  • Chemical Name:

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

  • Synonyms:

    3-nitro-1,2,4-triazole 5-carboxylic acid methyl ester; 5-nitro-2H-[1,2,4]triazole-3-carboxylic acid methyl ester; 3-Nitro-5-carbomethoxy-1.2.4-triazol;

methyl 3-nitro-1H-1,2,4-triazole-5-carboxylate Basic Attributes

172.09900

172.02325462

328810

DTXSID50318324

Characteristics

113.69000

0.02270

1.655g/cm3

428.3ºC

212.8ºC

1.592

1.53E-07mmHg at 25°C

Computed Properties

Molecular Weight:172.10
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:172.02325462
Monoisotopic Mass:172.02325462
Topological Polar Surface Area:114
Heavy Atom Count:12
Complexity:202
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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