CAY10505


Chemical Name: CAY10505
CAS Number: 1218777-13-9
Product Number: AG009CM6(AGN-PC-0WACQP)
Synonyms:
MDL No:
Molecular Formula: C14H8FNO3S
Molecular Weight: 289.2816232

Identification/Properties


Computed Properties
Molecular Weight:
289.28g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
289.021g/mol
Monoisotopic Mass:
289.021g/mol
Topological Polar Surface Area:
84.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
446
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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