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10133-36-5 | Benzo[b]thiophen-3-amine, 2-nitro-
CAS No: 10133-36-5 Catalog No: AG00048R MDL No:
Product Description
Catalog Number:
AG00048R
Chemical Name:
Benzo[b]thiophen-3-amine, 2-nitro-
CAS Number:
10133-36-5
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
IUPAC Name:
2-nitro-1-benzothiophen-3-amine
InChI:
InChI=1S/C8H6N2O2S/c9-7-5-3-1-2-4-6(5)13-8(7)10(11)12/h1-4H,9H2
InChI Key:
QUKCPSYNLDHLNI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1sc2c(c1N)cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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