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3-(2-BENZOTHIAZOLYL)-7-OCTADECYLOXYCOUMARIN

3-(2-BENZOTHIAZOLYL)-7-OCTADECYLOXYCOUMARIN structure

CAS No:
161992-82-1
Formula:
C34H45NO3S
Chemical Name:
3-(2-BENZOTHIAZOLYL)-7-OCTADECYLOXYCOUMARIN
Synonyms:
3-(2-BENZOTHIAZOLYL)-7-OCTADECYLOXYCOUMARIN;SCHEMBL592242;3-(1,3-benzothiazol-2-yl)-7-octadecoxychromen-2-one;CTK4D1044;DTXSID70407320;3-(2-Benzothiazolyl)-7-(octadecyloxy)coumarin;2H-1-Benzopyran-2-one,3-(2-benzothiazolyl)-7-(octadecyloxy)-;3-(1,3-Benzothiazol-2-yl)-7-(octadecyloxy)-2H-1-benzopyran-2-one

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3-(2-BENZOTHIAZOLYL)-7-OCTADECYLOXYCOUMARIN Basic Attributes

Molecular Weight：

547.79

Exact Mass：

547.31200

DSSTox ID：

DTXSID70407320

Characteristics

PSA：

76.7

XLogP3：

10.71000

Melting Point：

135-136 °C(lit.)

Water Solubility：

chloroform: soluble

Safety Information

wgk germany：

safety instructions：

22-24/25

Computed Properties

Molecular Weight:547.8
XLogP3:12.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:19
Exact Mass:547.31201547
Monoisotopic Mass:547.31201547
Topological Polar Surface Area:76.7
Heavy Atom Count:39
Complexity:727
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(2-BENZOTHIAZOLYL)-7-OCTADECYLOXYCOUMARIN

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(2-BENZOTHIAZOLYL)-7-OCTADECYLOXYCOUMARIN

SDS

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