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2-[6-(5-amino-3-nitro-1,2,4-triazol-1-yl)-5-nitropyrimidin-4-yl]-5-nitro-1,2,4-triazol-3-amine

2-[6-(5-amino-3-nitro-1,2,4-triazol-1-yl)-5-nitropyrimidin-4-yl]-5-nitro-1,2,4-triazol-3-amine structure

CAS No:
141227-99-8
Formula:
C8H5N13O6
Chemical Name:
2-[6-(5-amino-3-nitro-1,2,4-triazol-1-yl)-5-nitropyrimidin-4-yl]-5-nitro-1,2,4-triazol-3-amine
Synonyms:
4,6-bis-(5-amino-3-nitro-1,2,4-triazol-1-yl)-5-nitropyrimidine; 1H-1,2,4-Triazol-5-amine,1,1'-(5-nitro-4,6-pyrimidinediyl)bis[3-nitro;

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2-[6-(5-amino-3-nitro-1,2,4-triazol-1-yl)-5-nitropyrimidin-4-yl]-5-nitro-1,2,4-triazol-3-amine Basic Attributes

Molecular Weight：

379.20900

Exact Mass：

379.04857493

DSSTox ID：

DTXSID00770155

Characteristics

PSA：

278.16000

XLogP3：

-0.04320

Boiling Point：

1007.5ºC at 760 mmHg

Flash Point：

563.1ºC

Refractive Index：

2.276

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:379.21
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:2
Exact Mass:379.04857493
Monoisotopic Mass:379.04857493
Topological Polar Surface Area:277
Heavy Atom Count:27
Complexity:561
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[6-(5-amino-3-nitro-1,2,4-triazol-1-yl)-5-nitropyrimidin-4-yl]-5-nitro-1,2,4-triazol-3-amine

Basic Attributes
Characteristics
Computed Properties

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