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847687-17-6 | Benzene, 1,4-bis(chloromethyl)-2-(dodecyloxy)-5-ethoxy-
CAS No: 847687-17-6 Catalog No: AG004OW4 MDL No:
Product Description
Catalog Number:
AG004OW4
Chemical Name:
Benzene, 1,4-bis(chloromethyl)-2-(dodecyloxy)-5-ethoxy-
CAS Number:
847687-17-6
Molecular Formula:
C22H36Cl2O2
Molecular Weight:
403.4260
IUPAC Name:
1,4-bis(chloromethyl)-2-dodecoxy-5-ethoxybenzene
InChI:
InChI=1S/C22H36Cl2O2/c1-3-5-6-7-8-9-10-11-12-13-14-26-22-16-19(17-23)21(25-4-2)15-20(22)18-24/h15-16H,3-14,17-18H2,1-2H3
InChI Key:
NLJVUUFAAYHHGV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cc(CCl)c(cc1CCl)OCC
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.209g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.428g/mol
Monoisotopic Mass:
402.209g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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