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80419-05-2 | Dodecanoic acid, 9-chloro-, chloromethyl ester
CAS No: 80419-05-2 Catalog No: AG0053AG MDL No:
Product Description
Catalog Number:
AG0053AG
Chemical Name:
Dodecanoic acid, 9-chloro-, chloromethyl ester
CAS Number:
80419-05-2
Molecular Formula:
C13H24Cl2O2
Molecular Weight:
283.2345
IUPAC Name:
chloromethyl 9-chlorododecanoate
InChI:
InChI=1S/C13H24Cl2O2/c1-2-8-12(15)9-6-4-3-5-7-10-13(16)17-11-14/h12H,2-11H2,1H3
InChI Key:
NXKVVDSCGLSSDG-UHFFFAOYSA-N
SMILES:
CCCC(CCCCCCCC(=O)OCCl)Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.233g/mol
Monoisotopic Mass:
282.115g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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