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Home > Nitro Compounds > 1150-40-9
1150-40-9 | Benzene, 2,4-dimethoxy-1,3,5-trinitro-
CAS No: 1150-40-9 Catalog No: AG000FLC MDL No:
Product Description
Catalog Number:
AG000FLC
Chemical Name:
Benzene, 2,4-dimethoxy-1,3,5-trinitro-
CAS Number:
1150-40-9
Molecular Formula:
C8H7N3O8
Molecular Weight:
273.1565
IUPAC Name:
2,4-dimethoxy-1,3,5-trinitrobenzene
InChI:
InChI=1S/C8H7N3O8/c1-18-7-4(9(12)13)3-5(10(14)15)8(19-2)6(7)11(16)17/h3H,1-2H3
InChI Key:
WCMIMEQWHNFVQH-UHFFFAOYSA-N
SMILES:
COc1c(cc(c(c1[N+](=O)[O-])OC)[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
76525
Properties
Complexity:
344
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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