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Home > Fluorides > 139037-00-6
139037-00-6 | 1,2-Benzisothiazole, 6-fluoro-
CAS No: 139037-00-6 Catalog No: AG001A23 MDL No:
Product Description
Catalog Number:
AG001A23
Chemical Name:
1,2-Benzisothiazole, 6-fluoro-
CAS Number:
139037-00-6
Molecular Formula:
C7H4FNS
Molecular Weight:
153.1768
IUPAC Name:
6-fluoro-1,2-benzothiazole
InChI:
InChI=1S/C7H4FNS/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H
InChI Key:
LKJSBTYBZDVCFC-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)snc2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.005g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.174g/mol
Monoisotopic Mass:
153.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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