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89636-94-2 | 3,6,9,12-Tetraoxatetradecan-1-ol,14-(2,4-dichloro-5-methylphenoxy)-
CAS No: 89636-94-2 Catalog No: AG003WIG MDL No:
Product Description
Catalog Number:
AG003WIG
Chemical Name:
3,6,9,12-Tetraoxatetradecan-1-ol,14-(2,4-dichloro-5-methylphenoxy)-
CAS Number:
89636-94-2
Molecular Formula:
C17H26Cl2O6
Molecular Weight:
397.2907
IUPAC Name:
2-[2-[2-[2-[2-(2,4-dichloro-5-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
InChI:
InChI=1S/C17H26Cl2O6/c1-14-12-17(16(19)13-15(14)18)25-11-10-24-9-8-23-7-6-22-5-4-21-3-2-20/h12-13,20H,2-11H2,1H3
InChI Key:
YVLPQTXZSBBSHF-UHFFFAOYSA-N
SMILES:
OCCOCCOCCOCCOCCOc1cc(C)c(cc1Cl)Cl
EC Number:
289-513-0
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.111g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.289g/mol
Monoisotopic Mass:
396.111g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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