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80418-90-2 | Undecanoic acid, 4-chloro-, chloromethyl ester
CAS No: 80418-90-2 Catalog No: AG0053AH MDL No:
Product Description
Catalog Number:
AG0053AH
Chemical Name:
Undecanoic acid, 4-chloro-, chloromethyl ester
CAS Number:
80418-90-2
Molecular Formula:
C12H22Cl2O2
Molecular Weight:
269.2079
IUPAC Name:
chloromethyl 4-chloroundecanoate
InChI:
InChI=1S/C12H22Cl2O2/c1-2-3-4-5-6-7-11(14)8-9-12(15)16-10-13/h11H,2-10H2,1H3
InChI Key:
CTPRHLDCDGJEHN-UHFFFAOYSA-N
SMILES:
CCCCCCCC(CCC(=O)OCCl)Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.206g/mol
Monoisotopic Mass:
268.1g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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