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898762-10-2 | 2-(4-Bromophenyl)ethyl cyclopentyl ketone
CAS No: 898762-10-2 Catalog No: AG01EYVW MDL No:
Product Description
Catalog Number:
AG01EYVW
Chemical Name:
2-(4-Bromophenyl)ethyl cyclopentyl ketone
CAS Number:
898762-10-2
Molecular Formula:
C14H17BrO
Molecular Weight:
281.1882
IUPAC Name:
3-(4-bromophenyl)-1-cyclopentylpropan-1-one
InChI:
InChI=1S/C14H17BrO/c15-13-8-5-11(6-9-13)7-10-14(16)12-3-1-2-4-12/h5-6,8-9,12H,1-4,7,10H2
InChI Key:
UZNTVPPJQZHPNO-UHFFFAOYSA-N
SMILES:
O=C(C1CCCC1)CCc1ccc(cc1)Br
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.193g/mol
Monoisotopic Mass:
280.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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