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4-Chloro-2-pyridineethanol

CAT: 0572-TRC-C380115-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C380115-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1206247-85-9
Hazard Statement
No Data Available
Smiles
OCCc1cc(Cl)ccn1
Molecular Formula
C7 H8 Cl N O
Molecular Weight
157.597
InChI
InChI=1S/C7H8ClNO/c8-6-1-3-9-7(5-6)2-4-10/h1,3,5,10H,2,4H2
Additionnal Information
IUPAC name: 2-(4-chloropyridin-2-yl)ethanol
Shipping Conditions
Room Temperature

Chemical Information

4-Chloro-2-pyridineethanol
CAS Number1206247-85-9
PubChem CID83674627
IUPAC Name2-(4-chloro-2-pyridinyl)ethanol
Molecular FormulaC7H8ClNO
Molecular Weight157.60
XLogP1.1
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity99
SMILES
C1=CN=C(C=C1Cl)CCO
InChI
InChI=1S/C7H8ClNO/c8-6-1-3-9-7(5-6)2-4-10/h1,3,5,10H,2,4H2
InChIKey
WELZHDYXMMUMJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-2-pyridineethanol
CAS: 1206247-85-9
CID: 83674627
Formula: C7H8ClNO
MW: 157.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.60
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass157.0294416
Monoisotopic Mass157.0294416
Topological Polar Surface Area33.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.6
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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