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4965-26-8

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Basic Information
CAS No.: 4965-26-8
Name: 5-Nitrobenzothiophene
Article Data: 18
Molecular Structure:
Molecular Structure of 4965-26-8 (5-Nitrobenzothiophene)
Formula: C8H5 N O2 S
Molecular Weight: 179.199
Synonyms: Thianaphthene,5-nitro- (5CI); 5-Nitrobenzo[b]thiophene; 5-Nitrobenzothiophene
Density: 1.435g/cm3
Melting Point: 149-150 °C
Boiling Point: 324.558°C at 760 mmHg
Flash Point: 150.088°C
PSA: 74.06000
LogP: 3.33270
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Chemistry

Molecular Structure of 5-Nitrobenzothiophene (CAS NO.4965-26-8):

Systematic Name: 5-Nitro-1-benzothiophene 
Molecular Formula: C8H5NO2S
Molecular Weight: 179.20 
Mol File: 4965-26-8.mol 
Nominal Mass: 179
Average Mass: 179.1958
Monoisotopic Mass: 179.004098
SMILES: [O-][N+](=O)c1cc2ccsc2cc1
InChI: InChI=1/C8H5NO2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChIKey: NOVKHIQVXQKSRL-UHFFFAOYAA 
Std. InChI: InChI=1S/C8H5NO2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
Std. InChIKey: NOVKHIQVXQKSRL-UHFFFAOYSA-N

Specification

 5-Nitrobenzothiophene (CAS NO.4965-26-8), its Synonyms are Thianaphthene,5-nitro- (5CI) ; 5-Nitrobenzo[beta]thiophene ; Benzo[beta]thiophene,5-nitro- .