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132715-18-5 | Benzo[b]thiophen-3-amine, N-methyl-2-nitro-
CAS No: 132715-18-5 Catalog No: AG00111M MDL No:
Product Description
Catalog Number:
AG00111M
Chemical Name:
Benzo[b]thiophen-3-amine, N-methyl-2-nitro-
CAS Number:
132715-18-5
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
IUPAC Name:
N-methyl-2-nitro-1-benzothiophen-3-amine
InChI:
InChI=1S/C9H8N2O2S/c1-10-8-6-4-2-3-5-7(6)14-9(8)11(12)13/h2-5,10H,1H3
InChI Key:
NHAQEVALVIHPKF-UHFFFAOYSA-N
SMILES:
CNc1c(sc2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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