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898760-93-5 | 2-(3-Bromophenyl)ethyl cyclohexyl ketone
CAS No: 898760-93-5 Catalog No: AG01EYUJ MDL No:
Product Description
Catalog Number:
AG01EYUJ
Chemical Name:
2-(3-Bromophenyl)ethyl cyclohexyl ketone
CAS Number:
898760-93-5
Molecular Formula:
C15H19BrO
Molecular Weight:
295.2148
IUPAC Name:
3-(3-bromophenyl)-1-cyclohexylpropan-1-one
InChI:
InChI=1S/C15H19BrO/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h4-5,8,11,13H,1-3,6-7,9-10H2
InChI Key:
DDJHFBUBGIOJMG-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)CCc1cccc(c1)Br
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.22g/mol
Monoisotopic Mass:
294.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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