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3,6-dichloro-4-[(E)-4-chloro-3-methylbut-3-en-1-ynyl]-5-hydroxycyclohexa-3,5-diene-1,2-dione

3,6-dichloro-4-[(E)-4-chloro-3-methylbut-3-en-1-ynyl]-5-hydroxycyclohexa-3,5-diene-1,2-dione structure

CAS No:
131651-40-6
Formula:
C11H5Cl3O3
Chemical Name:
3,6-dichloro-4-[(E)-4-chloro-3-methylbut-3-en-1-ynyl]-5-hydroxycyclohexa-3,5-diene-1,2-dione
Synonyms:
Mycenon; 2,5-Cyclohexadiene-1,4-dione,2,5-dichloro-3-(4-chloro-3-methyl-3-buten-1-ynyl)-6-hydroxy-,(E); (E)-2,5-Dichloro-3-(4-chloro-3-methyl-3-buten-1-ynyl)-6-hydroxy-2,5-cyclohexadiene-1,4-dione;

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3,6-dichloro-4-[(E)-4-chloro-3-methylbut-3-en-1-ynyl]-5-hydroxycyclohexa-3,5-diene-1,2-dione Basic Attributes

Molecular Weight：

291.51500

Exact Mass：

289.930427 g/mol

Characteristics

PSA：

54.37000

XLogP3：

2.78550

Density：

1.61g/cm3

Boiling Point：

213.2ºC at 760mmHg

Flash Point：

82.7ºC

Refractive Index：

1.625

Vapor Pressure：

0.0369mmHg at 25°C

Drug Information

MeSH Entry Terms：

mycenon

Computed Properties

Molecular Weight:291.5
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:289.930427
Monoisotopic Mass:289.930427
Topological Polar Surface Area:54.4
Heavy Atom Count:17
Complexity:567
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: etoac; phenylmagnesium bromide; methanethiol; propenoic acid; 2-chlorobenzoic acid; naclo compound

Guide of 3,6-dichloro-4-[(E)-4-chloro-3-methylbut-3-en-1-ynyl]-5-hydroxycyclohexa-3,5-diene-1,2-dione

Basic Attributes
Characteristics
Drug Information
Computed Properties

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