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86711-79-7 | Propanoic acid, 2-chloro-, dodecyl ester
CAS No: 86711-79-7 Catalog No: AG004O5N MDL No:
Product Description
Catalog Number:
AG004O5N
Chemical Name:
Propanoic acid, 2-chloro-, dodecyl ester
CAS Number:
86711-79-7
Molecular Formula:
C15H29ClO2
Molecular Weight:
276.8426
IUPAC Name:
dodecyl 2-chloropropanoate
InChI:
InChI=1S/C15H29ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16/h14H,3-13H2,1-2H3
InChI Key:
ZWBOULTZYRWSPZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)C(Cl)C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.186g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.845g/mol
Monoisotopic Mass:
276.186g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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