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89058-44-6 | 1,3-Dioxolane, 2-[3-(2,4-dichlorophenyl)-3-butenyl]-
CAS No: 89058-44-6 Catalog No: AG0041D5 MDL No:
Product Description
Catalog Number:
AG0041D5
Chemical Name:
1,3-Dioxolane, 2-[3-(2,4-dichlorophenyl)-3-butenyl]-
CAS Number:
89058-44-6
Molecular Formula:
C13H14Cl2O2
Molecular Weight:
273.1551
IUPAC Name:
2-[3-(2,4-dichlorophenyl)but-3-enyl]-1,3-dioxolane
InChI:
InChI=1S/C13H14Cl2O2/c1-9(2-5-13-16-6-7-17-13)11-4-3-10(14)8-12(11)15/h3-4,8,13H,1-2,5-7H2
InChI Key:
VHPTZZBJXPOHBN-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(=C)CCC1OCCO1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.153g/mol
Monoisotopic Mass:
272.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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