2-Propenoic acid, 3-(4-bromophenyl)-, (2E)-


Chemical Name: 2-Propenoic acid, 3-(4-bromophenyl)-, (2E)-
CAS Number: 17916-60-8
Product Number: AG0026UJ(AGN-PC-0O52KL)
Synonyms:
MDL No:
Molecular Formula: C9H7BrO2
Molecular Weight: 227.0547

Identification/Properties


Computed Properties
Molecular Weight:
227.057g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
225.963g/mol
Monoisotopic Mass:
225.963g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
181
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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