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1443328-71-9 | 3-Bromophenyl cycloheptyl ketone
CAS No: 1443328-71-9 Catalog No: AG01FEPU MDL No:
Product Description
Catalog Number:
AG01FEPU
Chemical Name:
3-Bromophenyl cycloheptyl ketone
CAS Number:
1443328-71-9
Molecular Formula:
C14H17BrO
Molecular Weight:
281.1882
IUPAC Name:
(3-bromophenyl)-cycloheptylmethanone
InChI:
InChI=1S/C14H17BrO/c15-13-9-5-8-12(10-13)14(16)11-6-3-1-2-4-7-11/h5,8-11H,1-4,6-7H2
InChI Key:
VHCBRLRKQOPHCQ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)C1CCCCCC1
Properties
Complexity:
231
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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