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


Chemical Name: Benzoic acid, 3-chloro-4-fluoro-, methyl ester
CAS Number: 234082-35-0
Product Number: AG002N49(AGN-PC-01LMCP)
Synonyms:
MDL No: MFCD06203675
Molecular Formula: C8H6ClFO2
Molecular Weight: 188.5834

Identification/Properties


Properties
BP:
238°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
188.582g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
188.004g/mol
Monoisotopic Mass:
188.004g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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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