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898777-00-9 | Ethyl 8-(4-bromo-2-methylphenyl)-8-oxooctanoate
CAS No: 898777-00-9 Catalog No: AG01F9Y2 MDL No:
Product Description
Catalog Number:
AG01F9Y2
Chemical Name:
Ethyl 8-(4-bromo-2-methylphenyl)-8-oxooctanoate
CAS Number:
898777-00-9
Molecular Formula:
C17H23BrO3
Molecular Weight:
355.2667
IUPAC Name:
ethyl 8-(4-bromo-2-methylphenyl)-8-oxooctanoate
InChI:
InChI=1S/C17H23BrO3/c1-3-21-17(20)9-7-5-4-6-8-16(19)15-11-10-14(18)12-13(15)2/h10-12H,3-9H2,1-2H3
InChI Key:
BYJIZWBIRHYFPJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1ccc(cc1C)Br
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.083g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.272g/mol
Monoisotopic Mass:
354.083g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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