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2-[2-chloro-5-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione

2-[2-chloro-5-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione structure

CAS No:
1752-26-7
Formula:
C15H11ClF3NO3
Chemical Name:
2-[2-chloro-5-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione
Synonyms:
phenoxymethyl penicillinic acid; Phenoxyethyl-penicillin;

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2-[2-chloro-5-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione Basic Attributes

Molecular Weight：

345.70100

Exact Mass：

364.10929292 g/mol

Characteristics

PSA：

46.61000

XLogP3：

3.09060

Density：

1.41g/cm3

Boiling Point：

684.9ºC

Flash Point：

368ºC

Refractive Index：

1.639

Vapor Pressure：

1.06E-19mmHg at 25°C

Computed Properties

Molecular Weight:364.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:364.10929292
Monoisotopic Mass:364.10929292
Topological Polar Surface Area:121
Heavy Atom Count:25
Complexity:561
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2-chloro-5-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione

Basic Attributes
Characteristics
Computed Properties

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