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Home > Nitro Compounds > 157247-77-3
157247-77-3 | Naphthalene, 1-[bis[3,5-dimethyl-4-(4-nitrophenoxy)phenyl]methyl]-
CAS No: 157247-77-3 Catalog No: AG001PBL MDL No:
Product Description
Catalog Number:
AG001PBL
Chemical Name:
Naphthalene, 1-[bis[3,5-dimethyl-4-(4-nitrophenoxy)phenyl]methyl]-
CAS Number:
157247-77-3
Molecular Formula:
C39H32N2O6
Molecular Weight:
624.6812
IUPAC Name:
1-[bis[3,5-dimethyl-4-(4-nitrophenoxy)phenyl]methyl]naphthalene
InChI:
InChI=1S/C39H32N2O6/c1-24-20-29(21-25(2)38(24)46-33-16-12-31(13-17-33)40(42)43)37(36-11-7-9-28-8-5-6-10-35(28)36)30-22-26(3)39(27(4)23-30)47-34-18-14-32(15-19-34)41(44)45/h5-23,37H,1-4H3
InChI Key:
AAEDJHVIOPJVSU-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c1Oc1ccc(cc1)[N+](=O)[O-])C)C(c1cccc2c1cccc2)c1cc(C)c(c(c1)C)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
942
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
624.226g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
624.693g/mol
Monoisotopic Mass:
624.226g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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