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113714-02-6 | 1,3-Dioxane, 4-(dichloromethyl)-4-phenyl-
CAS No: 113714-02-6 Catalog No: AG0009FS MDL No:
Product Description
Catalog Number:
AG0009FS
Chemical Name:
1,3-Dioxane, 4-(dichloromethyl)-4-phenyl-
CAS Number:
113714-02-6
Molecular Formula:
C11H12Cl2O2
Molecular Weight:
247.1178
IUPAC Name:
4-(dichloromethyl)-4-phenyl-1,3-dioxane
InChI:
InChI=1S/C11H12Cl2O2/c12-10(13)11(6-7-14-8-15-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key:
IGTICEQSOQXSJH-UHFFFAOYSA-N
SMILES:
ClC(C1(CCOCO1)c1ccccc1)Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.115g/mol
Monoisotopic Mass:
246.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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