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143996-00-3 | Naphthalene, 1,6-bis(4-nitrophenoxy)-
CAS No: 143996-00-3 Catalog No: AG001IQK MDL No:
Product Description
Catalog Number:
AG001IQK
Chemical Name:
Naphthalene, 1,6-bis(4-nitrophenoxy)-
CAS Number:
143996-00-3
Molecular Formula:
C22H14N2O6
Molecular Weight:
402.3564
IUPAC Name:
1,6-bis(4-nitrophenoxy)naphthalene
InChI:
InChI=1S/C22H14N2O6/c25-23(26)16-4-8-18(9-5-16)29-20-12-13-21-15(14-20)2-1-3-22(21)30-19-10-6-17(7-11-19)24(27)28/h1-14H
InChI Key:
URRRIFDLRZGMQE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1ccc2c(c1)cccc2Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.085g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.362g/mol
Monoisotopic Mass:
402.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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