Benzoic acid, 2-chloro-4-fluoro-3-methyl-


Chemical Name: Benzoic acid, 2-chloro-4-fluoro-3-methyl-
CAS Number: 173315-54-3
Product Number: AG001YSF(AGN-PC-0NBJA9)
Synonyms:
MDL No:
Molecular Formula: C8H6ClFO2
Molecular Weight: 188.5834

Identification/Properties


Computed Properties
Molecular Weight:
188.582g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
188.004g/mol
Monoisotopic Mass:
188.004g/mol
Topological Polar Surface Area:
37.3A^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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