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260443-93-4 | Benzenamine, 4-(5,6-difluoro-2-benzothiazolyl)-2-methyl-
CAS No: 260443-93-4 Catalog No: AG002RHH MDL No:
Product Description
Catalog Number:
AG002RHH
Chemical Name:
Benzenamine, 4-(5,6-difluoro-2-benzothiazolyl)-2-methyl-
CAS Number:
260443-93-4
Molecular Formula:
C14H10F2N2S
Molecular Weight:
276.3044
IUPAC Name:
4-(5,6-difluoro-1,3-benzothiazol-2-yl)-2-methylaniline
InChI:
InChI=1S/C14H10F2N2S/c1-7-4-8(2-3-11(7)17)14-18-12-5-9(15)10(16)6-13(12)19-14/h2-6H,17H2,1H3
InChI Key:
OFVYPGBTHKOFPS-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1N)c1sc2c(n1)cc(c(c2)F)F
NSC Number:
711671
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.053g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.305g/mol
Monoisotopic Mass:
276.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Antitumor benzothiazoles. 14. Synthesis and in vitro biological properties of fluorinated 2-(4-aminophenyl)benzothiazoles. | Journal of medicinal chemistry 20010426 |
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