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88606-77-3 | Octanoic acid, 2-chloro-1-(chloromethyl)ethyl ester
CAS No: 88606-77-3 Catalog No: AG004AHZ MDL No:
Product Description
Catalog Number:
AG004AHZ
Chemical Name:
Octanoic acid, 2-chloro-1-(chloromethyl)ethyl ester
CAS Number:
88606-77-3
Molecular Formula:
C11H20Cl2O2
Molecular Weight:
255.1813
IUPAC Name:
1,3-dichloropropan-2-yl octanoate
InChI:
InChI=1S/C11H20Cl2O2/c1-2-3-4-5-6-7-11(14)15-10(8-12)9-13/h10H,2-9H2,1H3
InChI Key:
YHWIWTJEXQBEMO-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)OC(CCl)CCl
Properties
Complexity:
159
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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