2(3H)-Benzoxazolone...

2(3H)-Benzoxazolone,6-bromo-5-chloro-(CAS No. 5579-85-1)

2(3H)-Benzoxazolone,6-bromo-5-chloro-(CAS No. 5579-85-1)

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2(3H)-Benzoxazolone,6-bromo-5-chloro- 5579-85-1 98%

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  • Appearance:Solid
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Details:

【Name】
2(3H)-Benzoxazolone,6-bromo-5-chloro-
【Iupac name】
6-bromo-5-chloro-3H-1,3-benzoxazol-2-one
【CAS Registry number】
5579-85-1
【Synonyms】
2-Benzoxazolinone,6-bromo-5-chloro- (6CI,7CI,8CI)
6-Bromo-5-chloro-2-benzoxazolinone
Bromchlorenone
NSC 24970
Vinyzene
【EINECS(EC#)】
226-967-0
【Molecular Formula】
C7H3 Br Cl N O2 (Products with the same molecular formula)
【Molecular Weight】
248.47
【Inchi】
InChI=1/C7H3BrClNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11)
【Canonical SMILES】
C1=C2C(=CC(=C1Cl)Br)OC(=O)N2
【MOL File】
5579-85-1.mol
Chemical and Physical Properties
【Density】
1.907g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.639
【Flash Point】
°C
【Computed Properties】
Molecular Weight:248.46122 [g/mol]
Molecular Formula:C7H3BrClNO2
XLogP3-AA:2.5
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:246.903569
MonoIsotopic Mass:246.903569
Topological Polar Surface Area:38.3
Heavy Atom Count:12
Formal Charge:0
Complexity:214
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 Donor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

 

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