GW 610

CAT: 0127-BUP13489-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13489-04Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

872726-44-8

Purity

=98%

Smiles

COc1ccc(cc1OC)-c1nc2cc(F)ccc2s1

Chemical Information

GW-610

CAS Number	872726-44-8
PubChem CID	6712941
IUPAC Name	2-(3,4-dimethoxyphenyl)-5-fluoro-1,3-benzothiazole
Molecular Formula	C15H12FNO2S
Molecular Weight	289.3
XLogP	4.1
Topological Polar Surface Area	59.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	333

SMILES

COC1=C(C=C(C=C1)C2=NC3=C(S2)C=CC(=C3)F)OC

InChI

InChI=1S/C15H12FNO2S/c1-18-12-5-3-9(7-13(12)19-2)15-17-11-8-10(16)4-6-14(11)20-15/h3-8H,1-2H3

InChIKey

ZRLSVQBGBBYEAZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 872726-44-8

CID: 6712941

Formula: C15H12FNO2S

MW: 289.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.3
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	289.05727796
Monoisotopic Mass	289.05727796
Topological Polar Surface Area	59.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	333
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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