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5- (2-Chloroethoxy) -2-methoxypyridine

CAT: 0127-OR1048151-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1048151-01Size:100 mg
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CAS Number
1379265-38-9
MDL Number
MFCD20636050
Purity
95%
Smiles
COC1=NC=C(OCCCl)C=C1

Chemical Information

5-(2-Chloroethoxy)-2-methoxypyridine
CAS Number1379265-38-9
PubChem CID168450321
IUPAC Name5-(2-chloroethoxy)-2-methoxypyridine
Molecular FormulaC8H10ClNO2
Molecular Weight187.62
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
COC1=NC=C(C=C1)OCCCl
InChI
InChI=1S/C8H10ClNO2/c1-11-8-3-2-7(6-10-8)12-5-4-9/h2-3,6H,4-5H2,1H3
InChIKey
LDTPNTXZQDLIOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-Chloroethoxy)-2-methoxypyridine
CAS: 1379265-38-9
CID: 168450321
Formula: C8H10ClNO2
MW: 187.62
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight187.62
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass187.0400063
Monoisotopic Mass187.0400063
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