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884504-46-5 | 2',4'-DICHLORO-3-(1,3-DIOXAN-2-YL)PROPIOPHENONE
CAS No: 884504-46-5 Catalog No: AG004GTV MDL No:
Product Description
Catalog Number:
AG004GTV
Chemical Name:
2',4'-DICHLORO-3-(1,3-DIOXAN-2-YL)PROPIOPHENONE
CAS Number:
884504-46-5
Molecular Formula:
C13H14Cl2O3
Molecular Weight:
289.1545
IUPAC Name:
1-(2,4-dichlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one
InChI:
InChI=1S/C13H14Cl2O3/c14-9-2-3-10(11(15)8-9)12(16)4-5-13-17-6-1-7-18-13/h2-3,8,13H,1,4-7H2
InChI Key:
MYKSNJIXSWYGFB-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(=O)CCC1OCCCO1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.152g/mol
Monoisotopic Mass:
288.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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