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82777-11-5 | 1-Hexanone, 6-bromo-1-phenyl-
CAS No: 82777-11-5 Catalog No: AG004TFH MDL No:
Product Description
Catalog Number:
AG004TFH
Chemical Name:
1-Hexanone, 6-bromo-1-phenyl-
CAS Number:
82777-11-5
Molecular Formula:
C12H15BrO
Molecular Weight:
255.1509
IUPAC Name:
6-bromo-1-phenylhexan-1-one
InChI:
InChI=1S/C12H15BrO/c13-10-6-2-5-9-12(14)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChI Key:
HLSQAFNMHLLJRQ-UHFFFAOYSA-N
SMILES:
BrCCCCCC(=O)c1ccccc1
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.155g/mol
Monoisotopic Mass:
254.031g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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