7-chloro-1-cyclopropyl-6-fluoranyl-4-oxoquinoline-3-carboxylic acid


Chemical Name: 7-chloro-1-cyclopropyl-6-fluoranyl-4-oxoquinoline-3-carboxylic acid
CAS Number: 86393-33-1
Product Number: AG0034E6(AGN-PC-00G102)
Synonyms:
MDL No: MFCD00792458
Molecular Formula: C13H9ClFNO3
Molecular Weight: 281.6669

Identification/Properties


Properties
MP:
242-245 °C(lit.)
BP:
467.3 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
281.667g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
281.025g/mol
Monoisotopic Mass:
281.025g/mol
Topological Polar Surface Area:
57.6A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
463
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-H412
Precautionary Statements:
P273
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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