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5-Bromo-2-isopropoxythiazole

CAT: 0127-OR1001903-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1001903-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1086382-62-8
Purity
98%
Smiles
CC(OC1=NC=C(Br)S1)C

Chemical Information

5-Bromo-2-isopropoxythiazole
CAS Number1086382-62-8
PubChem CID45787562
IUPAC Name5-bromo-2-propan-2-yloxy-1,3-thiazole
Molecular FormulaC6H8BrNOS
Molecular Weight222.11
XLogP3.1
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity112
SMILES
CC(C)OC1=NC=C(S1)Br
InChI
InChI=1S/C6H8BrNOS/c1-4(2)9-6-8-3-5(7)10-6/h3-4H,1-2H3
InChIKey
BYAGVLRKWHZMEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2-isopropoxythiazole
CAS: 1086382-62-8
CID: 45787562
Formula: C6H8BrNOS
MW: 222.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.11
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass220.95100
Monoisotopic Mass220.95100
Topological Polar Surface Area50.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity112
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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