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6-(Trifluoromethyl)isoquinolin-1(2H)-one

6-(Trifluoromethyl)isoquinolin-1(2H)-one structure

CAS No:
1184916-59-3
Formula:
C10H6F3NO
Chemical Name:
6-(Trifluoromethyl)isoquinolin-1(2H)-one
Synonyms:
6-(trifluoromethyl)-2H-isoquinolin-1-one;

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6-(Trifluoromethyl)isoquinolin-1(2H)-one Basic Attributes

Molecular Weight：

213.15600

Exact Mass：

213.04014830

DSSTox ID：

DTXSID80654949

Characteristics

PSA：

32.86000

XLogP3：

2.54690

Density：

1.37 g/cm3

Boiling Point：

374.627ºC at 760 mmHg

Flash Point：

180.368ºC

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

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 6-(Trifluoromethyl)isoquinolin-1(2H)-one

Basic Attributes
Characteristics
Safety Information
Computed Properties

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