Sulfur bromopentafluoride

CAT: 0127-PC1008702Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

15607-89-3

Smiles

FS (F) (F) (F) (F) Br

Chemical Information

Retusin 7-Methyl Ether

Retusin 7-Methyl Ether is a methoxyisoflavone.

CAS Number	15607-89-3
PubChem CID	6710639
IUPAC Name	8-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
Molecular Formula	C17H14O5
Molecular Weight	298.29
XLogP	2.8
Topological Polar Surface Area	65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	438

SMILES

COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3O)OC

InChI

InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-17-12(15(13)18)7-8-14(21-2)16(17)19/h3-9,19H,1-2H3

InChIKey

RRCYPDDIDYVEIW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15607-89-3

CID: 6710639

Formula: C17H14O5

MW: 298.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.29
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	298.08412354
Monoisotopic Mass	298.08412354
Topological Polar Surface Area	65 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	438
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

Catalog	Name
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PC90805-01	(2-Fluoro-5-methyl-pyridin-3-yl) sulfur pentafluoride
PC6600-01	Sulphur hexafluoride
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IN3391-01	Sulphur, powder, sublimed