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2-(2-(4-BROMOPHENYL)-2-OXOETHYL)-5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE

2-(2-(4-BROMOPHENYL)-2-OXOETHYL)-5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE structure

CAS No:
112404-27-0
Formula:
C16H17BrO3
Chemical Name:
2-(2-(4-BROMOPHENYL)-2-OXOETHYL)-5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE
Synonyms:
2-(2-(4-BROMOPHENYL)-2-OXOETHYL)-5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE;2-[2-(4-bromophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione;CTK7F6915;KS-000028UK;MFCD00245076;AKOS022169563;ZINC100943376;MS-6888

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2-(2-(4-BROMOPHENYL)-2-OXOETHYL)-5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE Basic Attributes

Molecular Weight：

337.21

Exact Mass：

336.036

Characteristics

PSA：

51.2

XLogP3：

2.9

Density：

1.343±0.06 g/cm3(Predicted)

Melting Point：

154-155 °C(Solv: ethanol (64-17-5))

Computed Properties

Molecular Weight:337.21
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:336.03611
Monoisotopic Mass:336.03611
Topological Polar Surface Area:51.2
Heavy Atom Count:20
Complexity:399
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(2-(4-BROMOPHENYL)-2-OXOETHYL)-5,5-DIMETHYLCYCLOHEXANE-1,3-DIONE

Basic Attributes
Characteristics
Computed Properties

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