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89185-76-2 | Cyclopropaneoctanoic acid, 2,2-dibromo-3-octyl-, methyl ester
CAS No: 89185-76-2 Catalog No: AG004TP6 MDL No:
Product Description
Catalog Number:
AG004TP6
Chemical Name:
Cyclopropaneoctanoic acid, 2,2-dibromo-3-octyl-, methyl ester
CAS Number:
89185-76-2
Molecular Formula:
C20H36Br2O2
Molecular Weight:
468.3066
IUPAC Name:
methyl 8-(2,2-dibromo-3-octylcyclopropyl)octanoate
InChI:
InChI=1S/C20H36Br2O2/c1-3-4-5-6-8-11-14-17-18(20(17,21)22)15-12-9-7-10-13-16-19(23)24-2/h17-18H,3-16H2,1-2H3
InChI Key:
QLNAFWUFXCQDKX-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1C(C1(Br)Br)CCCCCCCC(=O)OC
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.314g/mol
Monoisotopic Mass:
466.108g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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