Benzenepropanoic acid, a-bromo-, (aS)-


Chemical Name: Benzenepropanoic acid, a-bromo-, (aS)-
CAS Number: 35016-63-8
Product Number: AG00I6XO(AGN-PC-0RAD9P)
Synonyms:
MDL No:
Molecular Formula: C9H9BrO2
Molecular Weight: 229.0706

Identification/Properties


Computed Properties
Molecular Weight:
229.073g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
227.979g/mol
Monoisotopic Mass:
227.979g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
153
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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