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89448-76-0 | Benzene, [[2-(4-chlorobutoxy)-1-[(dodecyloxy)methyl]ethoxy]methyl]-
CAS No: 89448-76-0 Catalog No: AG0044EM MDL No:
Product Description
Catalog Number:
AG0044EM
Chemical Name:
Benzene, [[2-(4-chlorobutoxy)-1-[(dodecyloxy)methyl]ethoxy]methyl]-
CAS Number:
89448-76-0
Molecular Formula:
C26H45ClO3
Molecular Weight:
441.0867
IUPAC Name:
[1-(4-chlorobutoxy)-3-dodecoxypropan-2-yl]oxymethylbenzene
InChI:
InChI=1S/C26H45ClO3/c1-2-3-4-5-6-7-8-9-10-15-20-28-23-26(24-29-21-16-14-19-27)30-22-25-17-12-11-13-18-25/h11-13,17-18,26H,2-10,14-16,19-24H2,1H3
InChI Key:
IUGINLOXCQXQAF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOCC(OCc1ccccc1)COCCCCCl
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.306g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.093g/mol
Monoisotopic Mass:
440.306g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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