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188973-55-9 | 1-Hexanone, 6-bromo-1-(4-chlorophenyl)-
CAS No: 188973-55-9 Catalog No: AG002HMB MDL No:
Product Description
Catalog Number:
AG002HMB
Chemical Name:
1-Hexanone, 6-bromo-1-(4-chlorophenyl)-
CAS Number:
188973-55-9
Molecular Formula:
C12H14BrClO
Molecular Weight:
289.5960
IUPAC Name:
6-bromo-1-(4-chlorophenyl)hexan-1-one
InChI:
InChI=1S/C12H14BrClO/c13-9-3-1-2-4-12(15)10-5-7-11(14)8-6-10/h5-8H,1-4,9H2
InChI Key:
ACYXJCNPVZLJED-UHFFFAOYSA-N
SMILES:
BrCCCCCC(=O)c1ccc(cc1)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.597g/mol
Monoisotopic Mass:
287.992g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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