1-Azido-4-ethoxybenzene - CAS 98488-09-6
Catalog: |
BB075573 |
Product Name: |
1-Azido-4-ethoxybenzene |
CAS: |
98488-09-6 |
Synonyms: |
4-Ethoxyphenyl Azide |
IUPAC Name: | 1-azido-4-ethoxybenzene |
Description: | 1-azido-4-ethoxybenzene (cas# 98488-09-6) is a useful research chemical used as a reactant in the preparation of HIV-1 protease inhibitory and antibacterial activity of ((imidazolyl)diarylmethyl)-methyl-aryl triazoles. |
Molecular Weight: | 163.18 |
Molecular Formula: | C8H9N3O |
Canonical SMILES: | CCOC1=CC=C(C=C1)N=[N+]=[N-] |
InChI: | InChI=1S/C8H9N3O/c1-2-12-8-5-3-7(4-6-8)10-11-9/h3-6H,2H2,1H3 |
InChI Key: | SGDQVLYEAQRXDR-UHFFFAOYSA-N |
References: | Dong, H., et al. J. Mol. Struct. 1256, 132516, (2022). |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P405, and P501 |
Signal Word: | Danger |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.074561919 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 23.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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