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(3-Bromophenyl) -2-pyridinylmethanone

CAT: 0127-OR1087027Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
206357-82-6
MDL Number
MFCD07699237
Smiles
C (=O) (c1cc (Br) ccc1) c1ccccn1

Chemical Information

2-(3-Bromobenzoyl)pyridine
CAS Number206357-82-6
PubChem CID12981436
IUPAC Name(3-bromophenyl)-pyridin-2-ylmethanone
Molecular FormulaC12H8BrNO
Molecular Weight262.10
XLogP2.6
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity232
SMILES
C1=CC=NC(=C1)C(=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C12H8BrNO/c13-10-5-3-4-9(8-10)12(15)11-6-1-2-7-14-11/h1-8H
InChIKey
NVGQILUWTNBMRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Bromobenzoyl)pyridine
CAS: 206357-82-6
CID: 12981436
Formula: C12H8BrNO
MW: 262.10
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.10
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass260.97893
Monoisotopic Mass260.97893
Topological Polar Surface Area30 Ų
Heavy Atom Count15
Formal Charge0
Complexity232
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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