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[2,3-DICHLORO-4-(3-HYDROXYPROPOXY)PHENYL]-2-THIENYLMETHANONE

[2,3-DICHLORO-4-(3-HYDROXYPROPOXY)PHENYL]-2-THIENYLMETHANONE structure

CAS No:
236735-89-0
Formula:
C14H12Cl2O3S
Chemical Name:
[2,3-DICHLORO-4-(3-HYDROXYPROPOXY)PHENYL]-2-THIENYLMETHANONE
Synonyms:
[2,3-DICHLORO-4-(3-HYDROXYPROPOXY)PHENYL]-2-THIENYLMETHANONE;Zinc02509843;homo-Tienilic Alcohol;Tienilic-3C-alcohol;[2,3-dichloro-4-(3-hydroxypropoxy)phenyl]-thiophen-2-ylmethanone

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[2,3-DICHLORO-4-(3-HYDROXYPROPOXY)PHENYL]-2-THIENYLMETHANONE Basic Attributes

Molecular Weight：

331.21

Exact Mass：

329.988434

DSSTox ID：

DTXSID50391016

Characteristics

PSA：

74.8

XLogP3：

3.66

Density：

1.4±0.1 g/cm3

Boiling Point：

504.6±50.0 °C at 760 mmHg

Flash Point：

259.0±30.1 °C

Refractive Index：

1.611

Drug Information

Metabolism/Metabolites：

Homo-Tienilic Alcohol has known human metabolites that include 2,3-Dichloro-4-hydroxyphenyl 2-thienyl ketone and [2,3-dichloro-4-(3-hydroxypropoxy)phenyl]-(5-hydroxythiophen-2-yl)methanone.

Computed Properties

Molecular Weight:331.2
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:329.9884208
Monoisotopic Mass:329.9884208
Topological Polar Surface Area:74.8
Heavy Atom Count:20
Complexity:330
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2,3-DICHLORO-4-(3-HYDROXYPROPOXY)PHENYL]-2-THIENYLMETHANONE

Basic Attributes
Characteristics
Drug Information
Computed Properties

[2,3-DICHLORO-4-(3-HYDROXYPROPOXY)PHENYL]-2-THIENYLMETHANONE

SDS

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