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126334-26-7 | 1-Nonanone, 1-(4-bromophenyl)-
CAS No: 126334-26-7 Catalog No: AG000SNA MDL No:
Product Description
Catalog Number:
AG000SNA
Chemical Name:
1-Nonanone, 1-(4-bromophenyl)-
CAS Number:
126334-26-7
Molecular Formula:
C15H21BrO
Molecular Weight:
297.2306
IUPAC Name:
1-(4-bromophenyl)nonan-1-one
InChI:
InChI=1S/C15H21BrO/c1-2-3-4-5-6-7-8-15(17)13-9-11-14(16)12-10-13/h9-12H,2-8H2,1H3
InChI Key:
JIVVSHXGCFTTTG-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)c1ccc(cc1)Br
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.236g/mol
Monoisotopic Mass:
296.078g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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