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1190312-63-0 | 2,4-Benzothiazolediamine, 6-fluoro-
CAS No: 1190312-63-0 Catalog No: AG000HJN MDL No:
Product Description
Catalog Number:
AG000HJN
Chemical Name:
2,4-Benzothiazolediamine, 6-fluoro-
CAS Number:
1190312-63-0
Molecular Formula:
C7H6FN3S
Molecular Weight:
183.2060
IUPAC Name:
6-fluoro-1,3-benzothiazole-2,4-diamine
InChI:
InChI=1S/C7H6FN3S/c8-3-1-4(9)6-5(2-3)12-7(10)11-6/h1-2H,9H2,(H2,10,11)
InChI Key:
XSYUDBGJOLULRU-UHFFFAOYSA-N
SMILES:
Fc1cc(N)c2c(c1)sc(n2)N
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.027g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.204g/mol
Monoisotopic Mass:
183.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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