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80418-72-0 | Nonanoic acid, 3-chloro-, chloromethyl ester
CAS No: 80418-72-0 Catalog No: AG005AUV MDL No:
Product Description
Catalog Number:
AG005AUV
Chemical Name:
Nonanoic acid, 3-chloro-, chloromethyl ester
CAS Number:
80418-72-0
Molecular Formula:
C10H18Cl2O2
Molecular Weight:
241.1547
IUPAC Name:
chloromethyl 3-chlorononanoate
InChI:
InChI=1S/C10H18Cl2O2/c1-2-3-4-5-6-9(12)7-10(13)14-8-11/h9H,2-8H2,1H3
InChI Key:
QADYLIOQVFEZKX-UHFFFAOYSA-N
SMILES:
CCCCCCC(CC(=O)OCCl)Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.068g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.152g/mol
Monoisotopic Mass:
240.068g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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