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5-Bromo-2- (2-methoxyethoxy) pyridine

CAT: 0926-MIA96129Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-MIA96129Size:2.5 g
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CAS Number
212961-29-0
MDL Number
MFCD13190750
Smiles
COCCOC1=NC=C (C=C1) Br
Molecular Formula
C8H10BrNO2
Molecular Weight
232.07 g/mol
Controlled
No

Chemical Information

5-Bromo-2-(2-methoxyethoxy)pyridine
CAS Number212961-29-0
PubChem CID22502717
IUPAC Name5-bromo-2-(2-methoxyethoxy)pyridine
Molecular FormulaC8H10BrNO2
Molecular Weight232.07
XLogP1.7
Topological Polar Surface Area31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity124
SMILES
COCCOC1=NC=C(C=C1)Br
InChI
InChI=1S/C8H10BrNO2/c1-11-4-5-12-8-3-2-7(9)6-10-8/h2-3,6H,4-5H2,1H3
InChIKey
SSLGCBWBEBJXFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2-(2-methoxyethoxy)pyridine
CAS: 212961-29-0
CID: 22502717
Formula: C8H10BrNO2
MW: 232.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.07
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass230.98949
Monoisotopic Mass230.98949
Topological Polar Surface Area31.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity124
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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