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82040-44-6 | Octadecanoic acid,9-(trichloromethyl)-, methyl ester
CAS No: 82040-44-6 Catalog No: AG005CMJ MDL No:
Product Description
Catalog Number:
AG005CMJ
Chemical Name:
Octadecanoic acid,9-(trichloromethyl)-, methyl ester
CAS Number:
82040-44-6
Molecular Formula:
C20H37Cl3O2
Molecular Weight:
415.8656
IUPAC Name:
methyl 9-(trichloromethyl)octadecanoate
InChI:
InChI=1S/C20H37Cl3O2/c1-3-4-5-6-7-9-12-15-18(20(21,22)23)16-13-10-8-11-14-17-19(24)25-2/h18H,3-17H2,1-2H3
InChI Key:
YRRIUXZEIMGDEI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(C(Cl)(Cl)Cl)CCCCCCCC(=O)OC
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.186g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.864g/mol
Monoisotopic Mass:
414.186g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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