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235103-09-0 | Ethanone, 1-[4-(bromomethyl)phenyl]-2,2-dicyclohexyl-
CAS No: 235103-09-0 Catalog No: AG002NH8 MDL No:
Product Description
Catalog Number:
AG002NH8
Chemical Name:
Ethanone, 1-[4-(bromomethyl)phenyl]-2,2-dicyclohexyl-
CAS Number:
235103-09-0
Molecular Formula:
C21H29BrO
Molecular Weight:
377.3584
IUPAC Name:
1-[4-(bromomethyl)phenyl]-2,2-dicyclohexylethanone
InChI:
InChI=1S/C21H29BrO/c22-15-16-11-13-19(14-12-16)21(23)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18,20H,1-10,15H2
InChI Key:
SLYJUFINYXWSMZ-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)C(=O)C(C1CCCCC1)C1CCCCC1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.14g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.366g/mol
Monoisotopic Mass:
376.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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