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880648-04-4 | Ethanone, 2-(3-bromophenyl)-1-cyclohexyl-
CAS No: 880648-04-4 Catalog No: AG004KRP MDL No:
Product Description
Catalog Number:
AG004KRP
Chemical Name:
Ethanone, 2-(3-bromophenyl)-1-cyclohexyl-
CAS Number:
880648-04-4
Molecular Formula:
C14H17BrO
Molecular Weight:
281.1882
IUPAC Name:
2-(3-bromophenyl)-1-cyclohexylethanone
InChI:
InChI=1S/C14H17BrO/c15-13-8-4-5-11(9-13)10-14(16)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10H2
InChI Key:
AUPQEZLOMBXUGL-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)Cc1cccc(c1)Br
Properties
Complexity:
233
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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