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(2,5-Dichlorophenyl) -4-pyridinylmethanone

CAT: 0127-OR1092027-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1092027-01Size:250 mg
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CAS Number
34950-11-3
MDL Number
MFCD08694029
Purity
95%
Smiles
C (=O) (c1c (Cl) ccc (Cl) c1) c1ccncc1

Chemical Information

(2,5-Dichlorophenyl)-4-pyridinylmethanone
CAS Number34950-11-3
PubChem CID12318804
IUPAC Name(2,5-dichlorophenyl)-pyridin-4-ylmethanone
Molecular FormulaC12H7Cl2NO
Molecular Weight252.09
XLogP3.5
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity253
SMILES
C1=CC(=C(C=C1Cl)C(=O)C2=CC=NC=C2)Cl
InChI
InChI=1S/C12H7Cl2NO/c13-9-1-2-11(14)10(7-9)12(16)8-3-5-15-6-4-8/h1-7H
InChIKey
VXBLNTLSDWPKGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,5-Dichlorophenyl)-4-pyridinylmethanone
CAS: 34950-11-3
CID: 12318804
Formula: C12H7Cl2NO
MW: 252.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.09
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass250.9904692
Monoisotopic Mass250.9904692
Topological Polar Surface Area30 Ų
Heavy Atom Count16
Formal Charge0
Complexity253
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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