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Home > Nitro Compounds > 17418-07-4
17418-07-4 | Benzene, 1,2-dimethoxy-3,4,5-trinitro-
CAS No: 17418-07-4 Catalog No: AG001ZHW MDL No:
Product Description
Catalog Number:
AG001ZHW
Chemical Name:
Benzene, 1,2-dimethoxy-3,4,5-trinitro-
CAS Number:
17418-07-4
Molecular Formula:
C8H7N3O8
Molecular Weight:
273.1565
IUPAC Name:
1,2-dimethoxy-3,4,5-trinitrobenzene
InChI:
InChI=1S/C8H7N3O8/c1-18-5-3-4(9(12)13)6(10(14)15)7(11(16)17)8(5)19-2/h3H,1-2H3
InChI Key:
NZXYYWMLCFKCPV-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(c(c1OC)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
10115
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.023g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.157g/mol
Monoisotopic Mass:
273.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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