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Home > Nitro Compounds > 191721-49-0
191721-49-0 | 1,1'-Binaphthalene, 2,2'-dimethoxy-6,6'-dinitro-
CAS No: 191721-49-0 Catalog No: AG002FFP MDL No:
Product Description
Catalog Number:
AG002FFP
Chemical Name:
1,1'-Binaphthalene, 2,2'-dimethoxy-6,6'-dinitro-
CAS Number:
191721-49-0
Molecular Formula:
C22H16N2O6
Molecular Weight:
404.3722
IUPAC Name:
2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene
InChI:
InChI=1S/C22H16N2O6/c1-29-19-9-3-13-11-15(23(25)26)5-7-17(13)21(19)22-18-8-6-16(24(27)28)12-14(18)4-10-20(22)30-2/h3-12H,1-2H3
InChI Key:
WINHFOUDGSNJAZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1c1c(OC)ccc3c1ccc(c3)[N+](=O)[O-])ccc(c2)[N+](=O)[O-]
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.101g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.378g/mol
Monoisotopic Mass:
404.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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