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Home > Fluorides > 1381925-25-2
1381925-25-2 | 1H-Isoindole-1,3(2H)-dione, 4-fluoro-2-(5-thiazolylmethyl)-
CAS No: 1381925-25-2 Catalog No: AG001857 MDL No:
Product Description
Catalog Number:
AG001857
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 4-fluoro-2-(5-thiazolylmethyl)-
CAS Number:
1381925-25-2
Molecular Formula:
C12H7FN2O2S
Molecular Weight:
262.2596
IUPAC Name:
4-fluoro-2-(1,3-thiazol-5-ylmethyl)isoindole-1,3-dione
InChI:
InChI=1S/C12H7FN2O2S/c13-9-3-1-2-8-10(9)12(17)15(11(8)16)5-7-4-14-6-18-7/h1-4,6H,5H2
InChI Key:
NBCBXFBPDMJJAO-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1C(=O)N(C2=O)Cc1cncs1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.021g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.258g/mol
Monoisotopic Mass:
262.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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