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13727-37-2 | 1,3-Dioxane, 5,5-bis(chloromethyl)-2-methyl-
CAS No: 13727-37-2 Catalog No: AG00131E MDL No:MFCD20624490
Product Description
Catalog Number:
AG00131E
Chemical Name:
1,3-Dioxane, 5,5-bis(chloromethyl)-2-methyl-
CAS Number:
13727-37-2
Molecular Formula:
C7H12Cl2O2
Molecular Weight:
199.0750
MDL Number:
MFCD20624490
IUPAC Name:
5,5-bis(chloromethyl)-2-methyl-1,3-dioxane
InChI:
InChI=1S/C7H12Cl2O2/c1-6-10-4-7(2-8,3-9)5-11-6/h6H,2-5H2,1H3
InChI Key:
DHZPQCFLSSFSAH-UHFFFAOYSA-N
SMILES:
ClCC1(CCl)COC(OC1)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.021g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.071g/mol
Monoisotopic Mass:
198.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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