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4-Chlorophenyl-2-pyridinylmethanol

CAT: 0013-GTR19250828-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250828-01Size:200 mg
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Description
4-Chlorophenyl-2-pyridinylmethanol
CAS Number
27652-89-7
Smiles
OC (c1ccc (Cl) cc1) c1ccccn1
Molecular Formula
C12H10ClNO
Molecular Weight
219.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4-Chlorophenyl)(pyridin-2-yl)methanol
CAS Number27652-89-7
PubChem CID97719
IUPAC Name(4-chlorophenyl)-pyridin-2-ylmethanol
Molecular FormulaC12H10ClNO
Molecular Weight219.66
XLogP2.1
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity192
SMILES
C1=CC=NC(=C1)C(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C12H10ClNO/c13-10-6-4-9(5-7-10)12(15)11-3-1-2-8-14-11/h1-8,12,15H
InChIKey
ZFUPOFQRQNJDNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Chlorophenyl)(pyridin-2-yl)methanol
CAS: 27652-89-7
CID: 97719
Formula: C12H10ClNO
MW: 219.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.66
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass219.0450916
Monoisotopic Mass219.0450916
Topological Polar Surface Area33.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity192
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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