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Home > Fluorides > 1225041-15-5
1225041-15-5 | Benzothiazole, 6-nitro-2-(trifluoromethyl)-
CAS No: 1225041-15-5 Catalog No: AG0017BR MDL No:MFCD19689670
Product Description
Catalog Number:
AG0017BR
Chemical Name:
Benzothiazole, 6-nitro-2-(trifluoromethyl)-
CAS Number:
1225041-15-5
Molecular Formula:
C8H3F3N2O2S
Molecular Weight:
248.1818
MDL Number:
MFCD19689670
IUPAC Name:
6-nitro-2-(trifluoromethyl)-1,3-benzothiazole
InChI:
InChI=1S/C8H3F3N2O2S/c9-8(10,11)7-12-5-2-1-4(13(14)15)3-6(5)16-7/h1-3H
InChI Key:
XYLUTQBQCRJQFR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)sc(n2)C(F)(F)F
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.987g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.179g/mol
Monoisotopic Mass:
247.987g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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