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1190312-41-4 | 2-Benzothiazolamine, 6-fluoro-4-nitro-
CAS No: 1190312-41-4 Catalog No: AG000HIL MDL No:
Product Description
Catalog Number:
AG000HIL
Chemical Name:
2-Benzothiazolamine, 6-fluoro-4-nitro-
CAS Number:
1190312-41-4
Molecular Formula:
C7H4FN3O2S
Molecular Weight:
213.1890
IUPAC Name:
6-fluoro-4-nitro-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C7H4FN3O2S/c8-3-1-4(11(12)13)6-5(2-3)14-7(9)10-6/h1-2H,(H2,9,10)
InChI Key:
DWCGVQUKISZNMI-UHFFFAOYSA-N
SMILES:
Fc1cc2sc(nc2c(c1)[N+](=O)[O-])N
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.186g/mol
Monoisotopic Mass:
213.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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