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834155-53-2 | 1-Hexanol, 6-[2,5-bis(chloromethyl)-4-methoxyphenoxy]-
CAS No: 834155-53-2 Catalog No: AG0054GM MDL No:
Product Description
Catalog Number:
AG0054GM
Chemical Name:
1-Hexanol, 6-[2,5-bis(chloromethyl)-4-methoxyphenoxy]-
CAS Number:
834155-53-2
Molecular Formula:
C15H22Cl2O3
Molecular Weight:
321.2394
IUPAC Name:
6-[2,5-bis(chloromethyl)-4-methoxyphenoxy]hexan-1-ol
InChI:
InChI=1S/C15H22Cl2O3/c1-19-14-8-13(11-17)15(9-12(14)10-16)20-7-5-3-2-4-6-18/h8-9,18H,2-7,10-11H2,1H3
InChI Key:
JMBQSVJLZUDRSR-UHFFFAOYSA-N
SMILES:
OCCCCCCOc1cc(CCl)c(cc1CCl)OC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.238g/mol
Monoisotopic Mass:
320.095g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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