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Home > Nitro Compounds > 86712-40-5
86712-40-5 | 1,2-dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene
CAS No: 86712-40-5 Catalog No: AG004T2H MDL No:
Product Description
Catalog Number:
AG004T2H
Chemical Name:
1,2-dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene
CAS Number:
86712-40-5
Molecular Formula:
C11H12N2O6
Molecular Weight:
268.2228
IUPAC Name:
1,2-dimethoxy-4-nitro-5-(2-nitroprop-1-enyl)benzene
InChI:
InChI=1S/C11H12N2O6/c1-7(12(14)15)4-8-5-10(18-2)11(19-3)6-9(8)13(16)17/h4-6H,1-3H3
InChI Key:
PCHJSSLCEMFQMH-UHFFFAOYSA-N
SMILES:
COc1cc(C=C([N+](=O)[O-])C)c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.225g/mol
Monoisotopic Mass:
268.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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