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Home > Nitro Compounds > 143814-63-5
143814-63-5 | 1,4-dimethoxy-2-nitro-3-[(E)-2-nitroethenyl]benzene
CAS No: 143814-63-5 Catalog No: AG00IT34 MDL No:MFCD00277337
Product Description
Catalog Number:
AG00IT34
Chemical Name:
1,4-dimethoxy-2-nitro-3-[(E)-2-nitroethenyl]benzene
CAS Number:
143814-63-5
Molecular Formula:
C10H10N2O6
Molecular Weight:
254.1962
MDL Number:
MFCD00277337
IUPAC Name:
1,4-dimethoxy-2-nitro-3-(2-nitroethenyl)benzene
InChI:
InChI=1S/C10H10N2O6/c1-17-8-3-4-9(18-2)10(12(15)16)7(8)5-6-11(13)14/h3-6H,1-2H3
InChI Key:
PSBWJWZJTFUALX-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1/C=C/[N+](=O)[O-])[N+](=O)[O-])OC
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.198g/mol
Monoisotopic Mass:
254.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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