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1629-92-1 | Benzothiazole, 4-fluoro-2-phenyl-
CAS No: 1629-92-1 Catalog No: AG001TJ5 MDL No:
Product Description
Catalog Number:
AG001TJ5
Chemical Name:
Benzothiazole, 4-fluoro-2-phenyl-
CAS Number:
1629-92-1
Molecular Formula:
C13H8FNS
Molecular Weight:
229.2727
IUPAC Name:
4-fluoro-2-phenyl-1,3-benzothiazole
InChI:
InChI=1S/C13H8FNS/c14-10-7-4-8-11-12(10)15-13(16-11)9-5-2-1-3-6-9/h1-8H
InChI Key:
CDTAWXASQSOOJN-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1nc(s2)c1ccccc1
NSC Number:
51879
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.272g/mol
Monoisotopic Mass:
229.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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