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2-(3,4-DIFLUORO-PHENYL)-AZEPANE

2-(3,4-DIFLUORO-PHENYL)-AZEPANE structure

CAS No:
946726-82-5
Formula:
C12H15F2N
Chemical Name:
2-(3,4-DIFLUORO-PHENYL)-AZEPANE
Synonyms:
1H-Azepine, 2-(3,4-difluorophenyl)hexahydro-

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2-(3,4-DIFLUORO-PHENYL)-AZEPANE Basic Attributes

Molecular Weight：

211.25

Exact Mass：

211.11725581

DSSTox ID：

DTXSID50663003

Characteristics

Density：

1.095±0.06 g/cm3

Boiling Point：

272.7±40.0 °C(Predicted)

PKA：

9.86±0.40

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:211.25
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:211.11725581
Monoisotopic Mass:211.11725581
Topological Polar Surface Area:12
Heavy Atom Count:15
Complexity:198
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(3,4-DIFLUORO-PHENYL)-AZEPANE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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