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150270-95-4 | Cyclohexanone, 2-[2-(2-bromophenyl)ethyl]-3,3-dimethyl-
CAS No: 150270-95-4 Catalog No: AG001MGT MDL No:
Product Description
Catalog Number:
AG001MGT
Chemical Name:
Cyclohexanone, 2-[2-(2-bromophenyl)ethyl]-3,3-dimethyl-
CAS Number:
150270-95-4
Molecular Formula:
C16H21BrO
Molecular Weight:
309.2413
IUPAC Name:
2-[2-(2-bromophenyl)ethyl]-3,3-dimethylcyclohexan-1-one
InChI:
InChI=1S/C16H21BrO/c1-16(2)11-5-8-15(18)13(16)10-9-12-6-3-4-7-14(12)17/h3-4,6-7,13H,5,8-11H2,1-2H3
InChI Key:
OZBGHNZATISHNH-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1CCc1ccccc1Br)(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.247g/mol
Monoisotopic Mass:
308.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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