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1190312-53-8 | Benzothiazole, 2-chloro-6-fluoro-4-nitro-
CAS No: 1190312-53-8 Catalog No: AG000HJT MDL No:
Product Description
Catalog Number:
AG000HJT
Chemical Name:
Benzothiazole, 2-chloro-6-fluoro-4-nitro-
CAS Number:
1190312-53-8
Molecular Formula:
C7H2ClFN2O2S
Molecular Weight:
232.6194
IUPAC Name:
2-chloro-6-fluoro-4-nitro-1,3-benzothiazole
InChI:
InChI=1S/C7H2ClFN2O2S/c8-7-10-6-4(11(12)13)1-3(9)2-5(6)14-7/h1-2H
InChI Key:
PLZDSIZZXUYVNH-UHFFFAOYSA-N
SMILES:
Fc1cc2sc(nc2c(c1)[N+](=O)[O-])Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.951g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.613g/mol
Monoisotopic Mass:
231.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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