p-Azidophenylglyoxal Monohydrate - CAS 1196151-49-1
Catalog: |
BB058292 |
Product Name: |
p-Azidophenylglyoxal Monohydrate |
CAS: |
1196151-49-1 |
Synonyms: |
4-Azidophenyl glyoxal hydrate; 2-(4-azidophenyl)-2-oxoacetaldehyde; hydrate; p-azidophenylglyoxal monohydrate |
IUPAC Name: | 2-(4-azidophenyl)-2-oxoacetaldehydehydrate |
Description: | p-Azidophenylglyoxal Monohydrate is a useful research chemical compound used in the preparation of antibody compounds with antibody drug conjugates used to treat cancer. |
Molecular Weight: | 175,15 + (18.02) |
Molecular Formula: | C8H5N3O2·(H2O) |
Canonical SMILES: | C1=CC(=CC=C1C(=O)C=O)N=[N+]=[N-].O |
InChI: | InChI=1S/C8H5N3O2.H2O/c9-11-10-7-3-1-6(2-4-7)8(13)5-12/h1-5H1H2 |
InChI Key: | CBYYPIYKJZCKGK-UHFFFAOYSA-N |
References: | Rader, C., et al. PCT Int. Appl. WO 2020076849, 97, (2020). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 250 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.04874109 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.04874109 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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