4-tert-butyl-2-(chl...

4-tert-butyl-2-(chloromethyl)-1-(3-chloropropoxy)benzene 5409-88-1

4-tert-butyl-2-(chloromethyl)-1-(3-chloropropoxy)benzene 5409-88-1

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Keywords

2-(chloromethyl)-1-(3-chloropropoxy)-4-tert-butyl-benzene 4-tert-butyl-2-(chloromethyl)-1-(3-chloropropoxy)benzene 5409-88-1

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
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Details:

【Name】
4-tert-butyl-2-(chloromethyl)-1-(3-chloropropoxy)benzene
【Iupac name】
4-tert-butyl-2-(chloromethyl)-1-(3-chloropropoxy)benzene
【CAS Registry number】
5409-88-1
【Synonyms】
4-tert-butyl-2-(chloromethyl)-1-(3-chloropropoxy)benzene
5409-88-1
NSC12542
AC1L5D4L
AC1Q3U7Z
AR-1G4651
NSC-12542
A833534
4-tert-butyl-1-(3-chloranylpropoxy)-2-(chloromethyl)benzene
【Molecular Formula】
C14H20Cl2O (Products with the same molecular formula)
【Molecular Weight】
275.214
【Inchi】
InChI=1/C14H20Cl2O/c1-14(2,3)12-5-6-13(11(9-12)10-16)17-8-4-7-15/h5-6,9H,4,7-8,10H2,1-3H3
【Canonical SMILES】
CC(C)(C)C1=CC(=C(C=C1)OCCCCl)CCl
【MOL File】
5409-88-1.mol
Chemical and Physical Properties
【Density】
1.091g/cm3
【Boiling Point】
354.5°C at 760 mmHg
【Refractive Index】
1.508
【Flash Point】
58.2°C
【Computed Properties】
Molecular Weight:275.214 [g/mol]
Molecular Formula:C14H20Cl2O
XLogP3-AA:4.9
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:6
Exact Mass:274.089121
MonoIsotopic Mass:274.089121
Topological Polar Surface Area:9.2
Heavy Atom Count:17
Formal Charge:0
Complexity:213
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:44

 

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