4-(Iodoacetylamino)phenol - CAS 53527-05-2
Catalog: |
BB063921 |
Product Name: |
4-(Iodoacetylamino)phenol |
CAS: |
53527-05-2 |
Synonyms: |
4'-Hydroxy-2-iodoacetanilide; N- (4- Hydroxyphenyl) - 2- iodo-acetamide |
IUPAC Name: | N-(4-hydroxyphenyl)-2-iodoacetamide |
Description: | 4-(Iodoacetylamino)phenol is used as an analytical reagent in absolute quantitation of NAPQI-modified rat serum albumin by LC-MS/MS in vivo. |
Molecular Weight: | 277.06 |
Molecular Formula: | C8H8INO2 |
Canonical SMILES: | C1=CC(=CC=C1NC(=O)CI)O |
InChI: | InChI=1S/C8H8INO2/c9-5-8(12)10-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,10,12) |
InChI Key: | JGXMPLXHWKDYRT-UHFFFAOYSA-N |
Melting Point: | 156 - 158°C |
Solubility: | DMSO (Sparingly), Methanol (Slightly) |
Appearance: | White to Beige Solid |
Storage: | 4°C, Inert atmosphere |
References: | LeBlanc, A., et al. Chem. Res. Toxicol., 27, 1632 (2014). |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.95998 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.95998 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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