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2631-68-7

2631-68-7 | Benzene, 1,3,5-trichloro-2,4,6-trinitro-

CAS No: 2631-68-7 Catalog No: AG002SO7 MDL No:

Product Description

Catalog Number:
AG002SO7
Chemical Name:
Benzene, 1,3,5-trichloro-2,4,6-trinitro-
CAS Number:
2631-68-7
Molecular Formula:
C6Cl3N3O6
Molecular Weight:
316.4397
IUPAC Name:
1,3,5-trichloro-2,4,6-trinitrobenzene
InChI:
InChI=1S/C6Cl3N3O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16
InChI Key:
LZMONXBJUOXABQ-UHFFFAOYSA-N
SMILES:
Clc1c([N+](=O)[O-])c(Cl)c(c(c1[N+](=O)[O-])Cl)[N+](=O)[O-]
EC Number:
220-115-1
UNII:
5W43E2LG8X
NSC Number:
312457

Properties

Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.885g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.431g/mol
Monoisotopic Mass:
314.885g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

Literature

Title Journal
Microwave assisted facile synthesis of {1/1,3-bis/1,3,5-tris-[(2-nitroxyethylnitramino)-2,4,6-trinitrobenzene]} using bismuth nitrate pentahydrate as an eco-friendly nitrating agent. Journal of hazardous materials 20080401

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