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2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-nitrobenzonitrile

2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-nitrobenzonitrile structure

CAS No:
785789-74-4
Formula:
C16H11ClN2O4S
Chemical Name:
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-nitrobenzonitrile
Synonyms:
ZINC2631316;MCULE-9553641519;Z57018483;2-{[(6-chloro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-nitrobenzonitrile;785789-74-4

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2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-nitrobenzonitrile Basic Attributes

Molecular Weight：

362.8 g/mol

Exact Mass：

362.0128057 g/mol

Characteristics

PSA：

113 Å²

Computed Properties

Molecular Weight:362.8
XLogP3:3.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:362.0128057
Monoisotopic Mass:362.0128057
Topological Polar Surface Area:113
Heavy Atom Count:24
Complexity:508
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-nitrobenzonitrile

Basic Attributes
Characteristics
Computed Properties

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