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7-(Trifluoromethyl)-1(2H)-isoquinolinone

7-(Trifluoromethyl)-1(2H)-isoquinolinone structure

CAS No:
410086-28-1
Formula:
C10H6F3NO
Chemical Name:
7-(Trifluoromethyl)-1(2H)-isoquinolinone
Synonyms:
1(2H)-Isoquinolinone,7-(trifluoromethyl)-;7-(Trifluoromethyl)-1(2H)-isoquinolinone;7-Trifluoromethyl-1-isoquinolone;7-Trifluoromethyl-2H-isoquinolin-1-one

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7-(Trifluoromethyl)-1(2H)-isoquinolinone Basic Attributes

Molecular Weight：

213.15600

Exact Mass：

213.16

DSSTox ID：

DTXSID80654944

Characteristics

PSA：

33.12000

XLogP3：

2.95920

Density：

1.37 g/cm3

Melting Point：

184-486 °C @ Solvent: Ethyl acetate, Hexane

Boiling Point：

361.491ºC at 760 mmHg

Flash Point：

172.424ºC

Computed Properties

Molecular Weight:213.16
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:213.04014830
Monoisotopic Mass:213.04014830
Topological Polar Surface Area:29.1
Heavy Atom Count:15
Complexity:298
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-(Trifluoromethyl)-1(2H)-isoquinolinone

Basic Attributes
Characteristics
Computed Properties

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