2-[2-(2,4-dichlorop...

2-[2-(2,4-dichlorophenyl)ethenyl]pyridine 5330-37-0

2-[2-(2,4-dichlorophenyl)ethenyl]pyridine 5330-37-0

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2-[2-(2,4-dichlorophenyl)ethenyl]pyridine 5330-37-0 98%

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Details:

Identification and Related Records
【Name】
2-[2-(2,4-dichlorophenyl)ethenyl]pyridine
【CAS Registry number】
5330-37-0
【Synonyms】
MLS002637619
2-[2-(2,4-DICHLOROPHENYL)VINYL]PYRIDINE
AC1L58A9
HMS3091F21
SMR001547146
【Molecular Formula】
C13H9Cl2N (Products with the same molecular formula)
【Molecular Weight】
250.1233
【Inchi】
InChI=1/C13H9Cl2N/c14-11-6-4-10(13(15)9-11)5-7-12-3-1-2-8-16-12/h1-9H
【Canonical SMILES】
C1=CC=NC(=C1)C=CC2=C(C=C(C=C2)Cl)Cl
【MOL File】
5330-37-0.mol
Chemical and Physical Properties
【Density】
1.318g/cm3
【Boiling Point】
369.2°C at 760 mmHg
【Refractive Index】
1.677
【Flash Point】
208.7°C
【Computed Properties】
Molecular Weight:250.12326 [g/mol]
Molecular Formula:C13H9Cl2N
XLogP3-AA:4.4
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:2
Exact Mass:249.011205
MonoIsotopic Mass:249.011205
Topological Polar Surface Area:12.9
Heavy Atom Count:16
Formal Charge:0
Complexity:242
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:6

 

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