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149338-11-4 | Benzo[b]thiophen-3-amine, N-(4-methoxyphenyl)-2-nitro-
CAS No: 149338-11-4 Catalog No: AG001LLJ MDL No:
Product Description
Catalog Number:
AG001LLJ
Chemical Name:
Benzo[b]thiophen-3-amine, N-(4-methoxyphenyl)-2-nitro-
CAS Number:
149338-11-4
Molecular Formula:
C15H12N2O3S
Molecular Weight:
300.3324
IUPAC Name:
N-(4-methoxyphenyl)-2-nitro-1-benzothiophen-3-amine
InChI:
InChI=1S/C15H12N2O3S/c1-20-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)21-15(14)17(18)19/h2-9,16H,1H3
InChI Key:
ASMKKXOINQQUEH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1c(sc2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.332g/mol
Monoisotopic Mass:
300.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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