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819883-38-0 | Octanoic acid, 8-bromo-, 11-bromoundecyl ester
CAS No: 819883-38-0 Catalog No: AG005ET0 MDL No:
Product Description
Catalog Number:
AG005ET0
Chemical Name:
Octanoic acid, 8-bromo-, 11-bromoundecyl ester
CAS Number:
819883-38-0
Molecular Formula:
C19H36Br2O2
Molecular Weight:
456.2959
IUPAC Name:
11-bromoundecyl 8-bromooctanoate
InChI:
InChI=1S/C19H36Br2O2/c20-16-12-8-4-2-1-3-5-10-14-18-23-19(22)15-11-7-6-9-13-17-21/h1-18H2
InChI Key:
IAUPDMZVXQPHGB-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCCCOC(=O)CCCCCCCBr
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.303g/mol
Monoisotopic Mass:
454.108g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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