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Home > Nitro Compounds > 102367-91-9
102367-91-9 | Benzene, 3-methyl-1,2,4,5-tetranitro-
CAS No: 102367-91-9 Catalog No: AG0007AI MDL No:
Product Description
Catalog Number:
AG0007AI
Chemical Name:
Benzene, 3-methyl-1,2,4,5-tetranitro-
CAS Number:
102367-91-9
Molecular Formula:
C7H4N4O8
Molecular Weight:
272.1287
IUPAC Name:
3-methyl-1,2,4,5-tetranitrobenzene
InChI:
InChI=1S/C7H4N4O8/c1-3-6(10(16)17)4(8(12)13)2-5(9(14)15)7(3)11(18)19/h2H,1H3
InChI Key:
RUGDOHNGYQZSHK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(cc(c(c1C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.003g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.129g/mol
Monoisotopic Mass:
272.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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