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3-amino-7-nitro-1-oxo-2-phenylisoquinoline-4-carbonitrile

3-amino-7-nitro-1-oxo-2-phenylisoquinoline-4-carbonitrile structure

CAS No:
130651-65-9
Formula:
C16H10N4O3
Chemical Name:
3-amino-7-nitro-1-oxo-2-phenylisoquinoline-4-carbonitrile
Synonyms:
3-amino-7-nitro-1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carbonitrile;130651-65-9;Oprea1_456034;MLS000391764;CHEMBL1539058;HMS2629F20;3-AMINO-4-CYANO-7-NITRO-2-PHENYL-1(2H)-ISOQUINOLINONE;ZINC3086301;AKOS001015322;MCULE-7833028331;SMR000260799;Z56789517

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3-amino-7-nitro-1-oxo-2-phenylisoquinoline-4-carbonitrile Basic Attributes

Molecular Weight：

306.27 g/mol

Exact Mass：

306.07529019 g/mol

Characteristics

PSA：

116 Å²

Safety Information

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:306.27
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:306.07529019
Monoisotopic Mass:306.07529019
Topological Polar Surface Area:116
Heavy Atom Count:23
Complexity:594
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-amino-7-nitro-1-oxo-2-phenylisoquinoline-4-carbonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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