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Home > Fluorides > 1190322-72-5
1190322-72-5 | Benzothiazole, 6-fluoro-4-nitro-
CAS No: 1190322-72-5 Catalog No: AG000I2L MDL No:
Product Description
Catalog Number:
AG000I2L
Chemical Name:
Benzothiazole, 6-fluoro-4-nitro-
CAS Number:
1190322-72-5
Molecular Formula:
C7H3FN2O2S
Molecular Weight:
198.1743
IUPAC Name:
6-fluoro-4-nitro-1,3-benzothiazole
InChI:
InChI=1S/C7H3FN2O2S/c8-4-1-5(10(11)12)7-6(2-4)13-3-9-7/h1-3H
InChI Key:
HMOWMGMVUXEQAH-UHFFFAOYSA-N
SMILES:
Fc1cc2scnc2c(c1)[N+](=O)[O-]
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.171g/mol
Monoisotopic Mass:
197.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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