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898760-89-9 | 2-(3-Bromophenyl)ethyl cyclobutyl ketone
CAS No: 898760-89-9 Catalog No: AG01EYUH MDL No:
Product Description
Catalog Number:
AG01EYUH
Chemical Name:
2-(3-Bromophenyl)ethyl cyclobutyl ketone
CAS Number:
898760-89-9
Molecular Formula:
C13H15BrO
Molecular Weight:
267.1616
IUPAC Name:
3-(3-bromophenyl)-1-cyclobutylpropan-1-one
InChI:
InChI=1S/C13H15BrO/c14-12-6-1-3-10(9-12)7-8-13(15)11-4-2-5-11/h1,3,6,9,11H,2,4-5,7-8H2
InChI Key:
HSECGZWAGNQRRL-UHFFFAOYSA-N
SMILES:
O=C(C1CCC1)CCc1cccc(c1)Br
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.166g/mol
Monoisotopic Mass:
266.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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