5-Nitrobenzothiophene - CAS 4965-26-8
Catalog: |
BB026767 |
Product Name: |
5-Nitrobenzothiophene |
CAS: |
4965-26-8 |
Synonyms: |
5-nitro-1-benzothiophene; 5-nitro-1-benzothiophene |
IUPAC Name: | 5-nitro-1-benzothiophene |
Description: | 5-Nitrobenzothiophene (CAS# 4965-26-8) is a useful research chemical. |
Molecular Weight: | 179.20 |
Molecular Formula: | C8H5NO2S |
Canonical SMILES: | C1=CC2=C(C=CS2)C=C1[N+](=O)[O-] |
InChI: | InChI=1S/C8H5NO2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H |
InChI Key: | NOVKHIQVXQKSRL-UHFFFAOYSA-N |
Boiling Point: | 324.558 ℃ at 760 mmHg |
Density: | 1.435 g/cm3 |
LogP: | 3.33270 |
Publication Number | Title | Priority Date |
WO-2021138694-A1 | Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same | 20200102 |
US-2017335191-A1 | Liquid crystal composition | 20160523 |
US-2017306234-A1 | Liquid crystal composition, method of producing the same, and retardation film constituted from the same | 20160425 |
US-2017283700-A1 | Liquid crystal composition | 20160329 |
US-2017145312-A1 | Liquid crystal composition | 20151125 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.00409958 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.00409958 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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