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2-(3-Chloro-3-methylbutyl)-3-hydroxy-1,4-naphthalenedione

2-(3-Chloro-3-methylbutyl)-3-hydroxy-1,4-naphthalenedione structure

CAS No:
111479-51-7
Formula:
C15H15ClO3
Chemical Name:
2-(3-Chloro-3-methylbutyl)-3-hydroxy-1,4-naphthalenedione
Synonyms:
1,4-Naphthalenedione,2-(3-chloro-3-methylbutyl)-3-hydroxy-;2-(3-Chloro-3-methylbutyl)-3-hydroxy-1,4-naphthalenedione;NSC 53562;NSC 98914

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2-(3-Chloro-3-methylbutyl)-3-hydroxy-1,4-naphthalenedione Basic Attributes

Molecular Weight：

278.73 g/mol

Exact Mass：

278.73

NSC Number：

98914|53562

DSSTox ID：

DTXSID70287942

Characteristics

PSA：

54.4 Å²

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, 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.

Computed Properties

Molecular Weight:278.73
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:278.0709720
Monoisotopic Mass:278.0709720
Topological Polar Surface Area:54.4
Heavy Atom Count:19
Complexity:437
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(3-Chloro-3-methylbutyl)-3-hydroxy-1,4-naphthalenedione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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