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1247348-92-0 | Benzothiazole, 4-fluoro-
CAS No: 1247348-92-0 Catalog No: AG000MNW MDL No:
Product Description
Catalog Number:
AG000MNW
Chemical Name:
Benzothiazole, 4-fluoro-
CAS Number:
1247348-92-0
Molecular Formula:
C7H4FNS
Molecular Weight:
153.1768
IUPAC Name:
4-fluoro-1,3-benzothiazole
InChI:
InChI=1S/C7H4FNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H
InChI Key:
ALBKFIJBIPPCPS-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1ncs2
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:
2.5
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