2-chloro-4-cyano-6-fluorobenzoic acid


Chemical Name: 2-chloro-4-cyano-6-fluorobenzoic acid
CAS Number: 1258298-29-1
Product Number: AG000OSO(AGN-PC-0H3NJQ)
Synonyms:
MDL No:
Molecular Formula: C8H3ClFNO2
Molecular Weight: 199.5663

Identification/Properties


Computed Properties
Molecular Weight:
199.565g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
198.984g/mol
Monoisotopic Mass:
198.984g/mol
Topological Polar Surface Area:
61.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
262
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:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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