5-chloro-2-(propan-2-yl)benzoic acid


Chemical Name: 5-chloro-2-(propan-2-yl)benzoic acid
CAS Number: 1369813-02-4
Product Number: AG01DTD0(AG01DTD0)
Synonyms:
MDL No:
Molecular Formula: C10H11ClO2
Molecular Weight: 198.6461

Identification/Properties


Computed Properties
Molecular Weight:
198.646g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
198.045g/mol
Monoisotopic Mass:
198.045g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
191
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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