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178043-48-6 | 1-Propanol, 3-[2,6-dichloro-4-[(3,3-dichloro-2-propen-1-yl)oxy]phenoxy]-
CAS No: 178043-48-6 Catalog No: AG0025QJ MDL No:
Product Description
Catalog Number:
AG0025QJ
Chemical Name:
1-Propanol, 3-[2,6-dichloro-4-[(3,3-dichloro-2-propen-1-yl)oxy]phenoxy]-
CAS Number:
178043-48-6
Molecular Formula:
C12H12Cl4O3
Molecular Weight:
346.0339
IUPAC Name:
3-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]propan-1-ol
InChI:
InChI=1S/C12H12Cl4O3/c13-9-6-8(18-5-2-11(15)16)7-10(14)12(9)19-4-1-3-17/h2,6-7,17H,1,3-5H2
InChI Key:
WJXVUDLJJISECG-UHFFFAOYSA-N
SMILES:
OCCCOc1c(Cl)cc(cc1Cl)OCC=C(Cl)Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.951g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.025g/mol
Monoisotopic Mass:
343.954g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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