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1190322-80-5 | 2(3H)-Benzothiazolone, 4-amino-6-fluoro-
CAS No: 1190322-80-5 Catalog No: AG000I2D MDL No:
Product Description
Catalog Number:
AG000I2D
Chemical Name:
2(3H)-Benzothiazolone, 4-amino-6-fluoro-
CAS Number:
1190322-80-5
Molecular Formula:
C7H5FN2OS
Molecular Weight:
184.1908
IUPAC Name:
4-amino-6-fluoro-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C7H5FN2OS/c8-3-1-4(9)6-5(2-3)12-7(11)10-6/h1-2H,9H2,(H,10,11)
InChI Key:
VMKNLUAEOMNRNN-UHFFFAOYSA-N
SMILES:
Nc1cc(F)cc2c1[nH]c(=O)s2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.188g/mol
Monoisotopic Mass:
184.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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