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6-NITRO-ISOINDOLIN-1-ONE

6-NITRO-ISOINDOLIN-1-ONE structure

CAS No:
110568-64-4
Formula:
C8H6N2O3
Chemical Name:
6-NITRO-ISOINDOLIN-1-ONE
Synonyms:
6-NITRO-ISOINDOLIN-1-ONE;6-Nitroisoindoline-1-one;6-Nitro-2,3-dihydro-isoindol-1-one;1H-Isoindol-1-one, 2,3-dihydro-6-nitro-;6-nitro-2,3-dihydro-1H-isoindol-1-one;6-Nitro-1-isoindolinone

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6-NITRO-ISOINDOLIN-1-ONE Basic Attributes

Molecular Weight：

178.14

Exact Mass：

178.03784206

DSSTox ID：

DTXSID10623522

Characteristics

Density：

1.449±0.06 g/cm3

Melting Point：

253 °C (decomp)

Boiling Point：

487.5±45.0 °C(Predicted)

PKA：

12.56±0.20

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:178.14
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:178.03784206
Monoisotopic Mass:178.03784206
Topological Polar Surface Area:74.9
Heavy Atom Count:13
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-NITRO-ISOINDOLIN-1-ONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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