2-[(1Z)-1-chloropro...

2-[(1Z)-1-chloroprop-1-en-1-yl]-1,3,5-trimethylbenzene(CAS No. 5466-92-2)

2-[(1Z)-1-chloroprop-1-en-1-yl]-1,3,5-trimethylbenzene(CAS No. 5466-92-2)

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2-[(E)-1-chloroprop-1-enyl]-1,3,5-trimethyl-benzene 5466-92-2 98%

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  • Appearance:Solid
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Details:

【Name】
2-[(1Z)-1-chloroprop-1-en-1-yl]-1,3,5-trimethylbenzene
【Iupac name】
2-[(E)-1-chloroprop-1-enyl]-1,3,5-trimethylbenzene
【CAS Registry number】
5466-92-2
【Synonyms】
NSC28605
AC1NS713
5466-92-2
NSC-28605
2-[(E)-1-chloroprop-1-enyl]-1,3,5-trimethylbenzene
【Molecular Formula】
C12H15Cl (Products with the same molecular formula)
【Molecular Weight】
194.7005
【Inchi】
InChI=1/C12H15Cl/c1-5-11(13)12-9(3)6-8(2)7-10(12)4/h5-7H,1-4H3/b11-5-
【Canonical SMILES】
CC=C(C1=C(C=C(C=C1C)C)C)Cl
【Isomers smiles】
C/C=C(\C1=C(C=C(C=C1C)C)C)/Cl
【MOL File】
5466-92-2.mol
Chemical and Physical Properties
【Density】
1.003g/cm3
【Boiling Point】
268.4°C at 760 mmHg
【Refractive Index】
1.532
【Flash Point】
111.3°C
【Computed Properties】
Molecular Weight:194.7005 [g/mol]
Molecular Formula:C12H15Cl
XLogP3-AA:4.4
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:1
Exact Mass:194.086228
MonoIsotopic Mass:194.086228
Topological Polar Surface Area:0
Heavy Atom Count:13
Formal Charge:0
Complexity:183
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

 

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