4-bromo-2-ethoxybenzonitrile


Chemical Name: 4-bromo-2-ethoxybenzonitrile
CAS Number: 1255870-63-3
Product Number: AG000NX8(AGN-PC-0D06AR)
Synonyms:
MDL No: MFCD22571081
Molecular Formula: C9H8BrNO
Molecular Weight: 226.0699

Identification/Properties


Properties
BP:
302.7±22.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
226.073g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
224.979g/mol
Monoisotopic Mass:
224.979g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
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
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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