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3- (3-Chloropropyl) pyridine

CAT: 0926-WAA01166-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-WAA01166-01Size:50 mg
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CAS Number
21011-66-5
MDL Number
MFCD06656691
Smiles
C1=CC (=CN=C1) CCCCl
Molecular Formula
C8H10ClN
Molecular Weight
155.62 g/mol
Controlled
No

Chemical Information

3-(3-Chloropropyl)pyridine
CAS Number21011-66-5
PubChem CID205440
IUPAC Name3-(3-chloropropyl)pyridine
Molecular FormulaC8H10ClN
Molecular Weight155.62
XLogP1.9
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity85
SMILES
C1=CC(=CN=C1)CCCCl
InChI
InChI=1S/C8H10ClN/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5H2
InChIKey
QRMAZKNPBZDWDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(3-Chloropropyl)pyridine
CAS: 21011-66-5
CID: 205440
Formula: C8H10ClN
MW: 155.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.62
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass155.0501770
Monoisotopic Mass155.0501770
Topological Polar Surface Area12.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity85.3
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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Alternative Products

CatalogName
sc-346005A3-[5- (3-chloropropyl) -1,2,4-oxadiazol-3-yl]pyridine
sc-348873A4-[5- (3-chloropropyl) -1,2,4-oxadiazol-3-yl]pyridine
MBS6106438-013-Vinylpyridine (3-Vinyl-pyridine, 3-Ethenyl-pyridine)
TRC-A617465-10G3-(Aminomethyl)pyridine
TRC-D442040-10G3-(Diethylboryl)pyridine
HY-137122-013-Pyridine toxoflavin
259516-013- (Aminomethyl) pyridine
423395-013- (Trifluoromethyl) pyridine
286536-01Pyridine-3-acetonitrile
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