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4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate structure

CAS No:
156661-01-7
Formula:
C18H18Cl2N2O5
Chemical Name:
4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
Synonyms:
2-((2,6-dichlorophenyl) amino)benzeneacetate-4-hydroxybutylnitric ester;nitrofenac;Nitrofenac;UNII-NZ947H5R0J;NZ947H5R0J;SCHEMBL3332430;4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;DTXSID20935062;154766-10-6;Q27285119;4-(Nitrooxy)butyl [2-(2,6-dichloroanilino)phenyl]acetate;4-(Nitrooxy)butyl 2-((2,6-dichlorophenyl)amino)benzeneacetate;Benzeneacetic acid, 2-((2,6-dichlorophenyl)amino)-, 4-(nitrooxy)butyl ester

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4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate Basic Attributes

Molecular Weight：

413.2 g/mol

Exact Mass：

412.0592771 g/mol

UNII：

NZ947H5R0J

Characteristics

PSA：

93.4 Å²

Drug Information

MeSH Entry Terms：

2-((2,6-dichlorophenyl) amino)benzeneacetate-4-hydroxybutylnitric ester

Computed Properties

Molecular Weight:413.2
XLogP3:5.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:412.0592771
Monoisotopic Mass:412.0592771
Topological Polar Surface Area:93.4
Heavy Atom Count:27
Complexity:467
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-[2-(2,6-dichloroanilino)phenyl]acetate

86522-08-9

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Guide of 4-nitrooxybutyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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