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19835-71-3 | Cyclooctanecarboxylic acid, 2-(4-bromophenyl)-2-oxoethyl ester
CAS No: 19835-71-3 Catalog No: AG002BHH MDL No:
Product Description
Catalog Number:
AG002BHH
Chemical Name:
Cyclooctanecarboxylic acid, 2-(4-bromophenyl)-2-oxoethyl ester
CAS Number:
19835-71-3
Molecular Formula:
C17H21BrO3
Molecular Weight:
353.2508
IUPAC Name:
[2-(4-bromophenyl)-2-oxoethyl] cyclooctanecarboxylate
InChI:
InChI=1S/C17H21BrO3/c18-15-10-8-13(9-11-15)16(19)12-21-17(20)14-6-4-2-1-3-5-7-14/h8-11,14H,1-7,12H2
InChI Key:
JQFKHNGNFAMEGB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)COC(=O)C1CCCCCCC1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.256g/mol
Monoisotopic Mass:
352.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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