Benzoic acid, 3-chloro-5-fluoro-


Chemical Name: Benzoic acid, 3-chloro-5-fluoro-
CAS Number: 25026-64-6
Product Number: AG007O9I(AGN-PC-0KK6RU)
Synonyms:
MDL No: MFCD00973904
Molecular Formula: C7H4ClFO2
Molecular Weight: 174.5569

Identification/Properties


Computed Properties
Molecular Weight:
174.555g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
173.988g/mol
Monoisotopic Mass:
173.988g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
163
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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