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2-(3-Bromo-4-chlorophenyl)pyridine

CAT: 0572-TRC-B694426-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B694426-1GSize:1 g
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CAS Number
1663482-31-2
Synonyms
2-(3-Bromo-4-chlorophenyl)pyridine
Hazard Statement
No Data Available
Smiles
ClC1=CC=C(C2=NC=CC=C2)C=C1Br
Molecular Formula
C11H7BrClN
Molecular Weight
268.54
InChI
InChI=1S/C11H7BrClN/c12-9-7-8(4-5-10(9)13)11-3-1-2-6-14-11/h1-7H
Additionnal Information
IUPAC name: 2-(3-bromo-4-chlorophenyl)pyridine
Shipping Conditions
Room Temperature

Chemical Information

2-(3-Bromo-4-chlorophenyl)pyridine
CAS Number1663482-31-2
PubChem CID122381935
IUPAC Name2-(3-bromo-4-chlorophenyl)pyridine
Molecular FormulaC11H7BrClN
Molecular Weight268.53
XLogP3.8
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity188
SMILES
C1=CC=NC(=C1)C2=CC(=C(C=C2)Cl)Br
InChI
InChI=1S/C11H7BrClN/c12-9-7-8(4-5-10(9)13)11-3-1-2-6-14-11/h1-7H
InChIKey
OUBJCVIWAYAJJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Bromo-4-chlorophenyl)pyridine
CAS: 1663482-31-2
CID: 122381935
Formula: C11H7BrClN
MW: 268.53
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight268.53
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass266.94504
Monoisotopic Mass266.94504
Topological Polar Surface Area12.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity188
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