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80418-80-0 | Decanoic acid, 3-chloro-, chloromethyl ester
CAS No: 80418-80-0 Catalog No: AG005AUU MDL No:
Product Description
Catalog Number:
AG005AUU
Chemical Name:
Decanoic acid, 3-chloro-, chloromethyl ester
CAS Number:
80418-80-0
Molecular Formula:
C11H20Cl2O2
Molecular Weight:
255.1813
IUPAC Name:
chloromethyl 3-chlorodecanoate
InChI:
InChI=1S/C11H20Cl2O2/c1-2-3-4-5-6-7-10(13)8-11(14)15-9-12/h10H,2-9H2,1H3
InChI Key:
MQXLUSRAEHYPSD-UHFFFAOYSA-N
SMILES:
CCCCCCCC(CC(=O)OCCl)Cl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.179g/mol
Monoisotopic Mass:
254.084g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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