3-BROMO-CYCLOPENTANECARBOXYLIC ACID, Mixture of diastereomers


Chemical Name: 3-BROMO-CYCLOPENTANECARBOXYLIC ACID, Mixture of diastereomers
CAS Number: 885953-19-5
Product Number: AG01DTEN(AG01DTEN)
Synonyms:
MDL No:
Molecular Formula: C6H9BrO2
Molecular Weight: 193.0385

Identification/Properties


Computed Properties
Molecular Weight:
193.04g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
191.979g/mol
Monoisotopic Mass:
191.979g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
124
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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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