5-bromo-6-(1,2-dibr...

5-bromo-6-(1,2-dibromopropyl)-1,3-benzodioxole(CAS No. 5460-62-8)

5-bromo-6-(1,2-dibromopropyl)-1,3-benzodioxole(CAS No. 5460-62-8)

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Keywords

6-bromo-5-(1,2-dibromopropyl)benzo[1,3]dioxole 5460-62-8 98%

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  • Appearance:Solid
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Details:

【Name】
5-bromo-6-(1,2-dibromopropyl)-1,3-benzodioxole
【CAS Registry number】
5460-62-8
【Synonyms】
5-bromo-6-(1,2-dibromopropyl)-1,3-benzodioxole
NSC23730
AC1L5I21
AC1Q2476
AR-1G7465
NSC-23730
【Molecular Formula】
C10H9Br3O2 (Products with the same molecular formula)
【Molecular Weight】
400.8893
【Inchi】
InChI=1/C10H9Br3O2/c1-5(11)10(13)6-2-8-9(3-7(6)12)15-4-14-8/h2-3,5,10H,4H2,1H3
【Canonical SMILES】
CC(C(C1=CC2=C(C=C1Br)OCO2)Br)Br
【MOL File】
5460-62-8.mol
Chemical and Physical Properties
【Density】
2.07g/cm3
【Boiling Point】
378.1°C at 760 mmHg
【Refractive Index】
1.639
【Flash Point】
155.1°C
【Computed Properties】
Molecular Weight:400.88926 [g/mol]
Molecular Formula:C10H9Br3O2
XLogP3-AA:4.2
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:399.813221
MonoIsotopic Mass:397.815267
Topological Polar Surface Area:18.5
Heavy Atom Count:15
Formal Charge:0
Complexity:227
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:4
Feature 3D Ring Count:2
Effective Rotor Count:2.6
Conformer Sampling RMSD:0.6
CID Conformer Count:12

 

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