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149338-26-1 | Benzo[b]thiophen-3-amine, 5-chloro-N-(4-fluorophenyl)-2-nitro-
CAS No: 149338-26-1 Catalog No: AG001LLE MDL No:
Product Description
Catalog Number:
AG001LLE
Chemical Name:
Benzo[b]thiophen-3-amine, 5-chloro-N-(4-fluorophenyl)-2-nitro-
CAS Number:
149338-26-1
Molecular Formula:
C14H8ClFN2O2S
Molecular Weight:
322.7419
IUPAC Name:
5-chloro-N-(4-fluorophenyl)-2-nitro-1-benzothiophen-3-amine
InChI:
InChI=1S/C14H8ClFN2O2S/c15-8-1-6-12-11(7-8)13(14(21-12)18(19)20)17-10-4-2-9(16)3-5-10/h1-7,17H
InChI Key:
GSOBTPZMZQWOQV-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Nc1c(sc2c1cc(Cl)cc2)[N+](=O)[O-]
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.998g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.738g/mol
Monoisotopic Mass:
321.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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