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  • 2,6-Dichlorobenzoxazole
Name:2,6-Dichlorobenzoxazole
CAS No:3621-82-7

PRODUCT DESCRIPTION

【Name】
2,6-Dichlorobenzoxazole
【Iupac name】
2,6-dichloro-1,3-benzoxazole
【CAS Registry number】
3621-82-7
【Synonyms】
2,6-Dichloro Benzoxazole
2,6-Dichlorobenzoxazole (DCBO)
【EINECS(EC#)】
222-818-9
【Molecular Formula】
C7H3Cl2NO (Products with the same molecular formula)
【Molecular Weight】
188.01
【Inchi】
InChI=1/C7H3Cl2NO/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H
【Canonical SMILES】
C1=CC2=C(C=C1Cl)OC(=N2)Cl
【MOL File】
3621-82-7.mol

Chemical and Physical Properties

【Appearance】
white crystal
【Density】
1.522 g/cm3
【Melting Point】
49-51℃
【Boiling Point】
242.9oC at 760 mmHg
【Refractive Index】
1.636
【Flash Point】
242.9oC at 760 mmHg
【Computed Properties】
Molecular Weight:188.01082 [g/mol]
Molecular Formula:C7H3Cl2NO
XLogP3:3.8
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:186.959169
MonoIsotopic Mass:186.959169
Topological Polar Surface Area:26
Heavy Atom Count:11
Formal Charge:0
Complexity:155
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 Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

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