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941867-04-5 | "6-fluoro-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine"
CAS No: 941867-04-5 Catalog No: AG01FLYY MDL No:MFCD09743199
Product Description
Catalog Number:
AG01FLYY
Chemical Name:
"6-fluoro-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine"
CAS Number:
941867-04-5
Molecular Formula:
C13H10FN3S
Molecular Weight:
259.3020
MDL Number:
MFCD09743199
IUPAC Name:
6-fluoro-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C13H10FN3S/c14-9-4-5-11-12(7-9)18-13(17-11)16-8-10-3-1-2-6-15-10/h1-7H,8H2,(H,16,17)
InChI Key:
CBCQPFLDIDWAEL-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)sc(n2)NCc1ccccn1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.302g/mol
Monoisotopic Mass:
259.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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