2-Phenoxyethyl mono...

2-Phenoxyethyl monobromoacetate(CAS No. 56521-82-5)

2-Phenoxyethyl monobromoacetate(CAS No. 56521-82-5)

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2-phenoxyethyl 2-bromoacetate 56521-82-5 98%

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  • Appearance:Solid
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Details:

【Name】
2-Phenoxyethyl monobromoacetate
【Iupac name】
2-phenoxyethyl 2-bromoacetate
【CAS Registry number】
56521-82-5
【Synonyms】
2-Phenoxyethyl monobromoacetate
Bromoacetic acid 2-phenoxyethyl ester
【Molecular Formula】
C10H11BrO3 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C10H11BrO3/c11-8-10(12)14-7-6-13-9-4-2-1-3-5-9/h1-5H,6-8H2
【Canonical SMILES】
C1=CC=C(C=C1)OCCOC(=O)CBr
【MOL File】
56521-82-5.mol
Chemical and Physical Properties
【Density】
1.442g/cm3
【Boiling Point】
306.2°C at 760 mmHg
【Refractive Index】
1.539
【Flash Point】
139°C
【Computed Properties】
Molecular Weight:259.09654 [g/mol]
Molecular Formula:C10H11BrO3
XLogP3-AA:2.6
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:6
Exact Mass:257.989157
MonoIsotopic Mass:257.989157
Topological Polar Surface Area:35.5
Heavy Atom Count:14
Formal Charge:0
Complexity:167
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:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:6
Conformer Sampling RMSD:0.6
CID Conformer Count:403

 

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