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26533-39-1 | Octadecanoic acid, 9,10,12,13-tetrachloro-
CAS No: 26533-39-1 Catalog No: AG002TM3 MDL No:
Product Description
Catalog Number:
AG002TM3
Chemical Name:
Octadecanoic acid, 9,10,12,13-tetrachloro-
CAS Number:
26533-39-1
Molecular Formula:
C18H32Cl4O2
Molecular Weight:
422.2575
IUPAC Name:
9,10,12,13-tetrachlorooctadecanoic acid
InChI:
InChI=1S/C18H32Cl4O2/c1-2-3-7-10-14(19)16(21)13-17(22)15(20)11-8-5-4-6-9-12-18(23)24/h14-17H,2-13H2,1H3,(H,23,24)
InChI Key:
FRSRMUYUIAXUAX-UHFFFAOYSA-N
SMILES:
CCCCCC(C(CC(C(CCCCCCCC(=O)O)Cl)Cl)Cl)Cl
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.113g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.252g/mol
Monoisotopic Mass:
420.116g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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