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1-[(4-Methoxyphenyl)methyl]-5-(trifluoromethoxy)-1H-indole-2,3-dione

1-[(4-Methoxyphenyl)methyl]-5-(trifluoromethoxy)-1H-indole-2,3-dione structure

CAS No:
1160247-92-6
Formula:
C17H12F3NO4
Chemical Name:
1-[(4-Methoxyphenyl)methyl]-5-(trifluoromethoxy)-1H-indole-2,3-dione
Synonyms:
1H-Indole-2,3-dione,1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-;1-[(4-Methoxyphenyl)methyl]-5-(trifluoromethoxy)-1H-indole-2,3-dione;VU 0238429;ML 129;1-(4-Methoxy-benzyl)-5-trifluoromethoxy-1H-indole-2,3-dione;HY 12157

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1-[(4-Methoxyphenyl)methyl]-5-(trifluoromethoxy)-1H-indole-2,3-dione Basic Attributes

Molecular Weight：

351.28

Exact Mass：

351.28

UNII：

ZH1ZWF5Q3P

DSSTox ID：

DTXSID40655290

Characteristics

PSA：

55.84000

XLogP3：

3.38830

Density：

1.432±0.06 g/cm3

Boiling Point：

459.7±55.0 °C(Predicted)

PKA：

-3.68±0.20

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

36-50/53

safety instructions：

26-60-61

Marks：

Xi,N

GHS Classification：

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione

Computed Properties

Molecular Weight:351.28
XLogP3:3.5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:351.07184235
Monoisotopic Mass:351.07184235
Topological Polar Surface Area:55.8
Heavy Atom Count:25
Complexity:517
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[(4-Methoxyphenyl)methyl]-5-(trifluoromethoxy)-1H-indole-2,3-dione

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

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