2-(5-Chloro-2-ureidophenyl)acetic Acid - CAS 100666-71-5
Catalog: |
BB062469 |
Product Name: |
2-(5-Chloro-2-ureidophenyl)acetic Acid |
CAS: |
100666-71-5 |
Synonyms: |
(5-Chloro-2-ureidophenyl)acetic Acid; 2-[(Aminocarbonyl)amino]-5-chlorobenzeneacetic Acid |
IUPAC Name: | 2-[2-(carbamoylamino)-5-chlorophenyl]acetic acid |
Description: | 2-(5-Chloro-2-ureidophenyl)acetic Acid is an intermediate in the synthesis of Tenidap (T018330), one of the nonsteroidal antiinflammatory drugs (NSAIDs). |
Molecular Weight: | 228.63 |
Molecular Formula: | C9H9ClN2O3 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)CC(=O)O)NC(=O)N |
InChI: | InChI=1S/C9H9ClN2O3/c10-6-1-2-7(12-9(11)15)5(3-6)4-8(13)14/h1-3H,4H2,(H,13,14)(H3,11,12,15) |
InChI Key: | TVPAHVAHFPSRPN-UHFFFAOYSA-N |
Solubility: | Methanol, DMSO |
Appearance: | Yellow Solid |
References: | Kumar, P., et al. Org. Proc. Res. Develop., 5, 61 (2001); Rusek, F.W., et al. J. Labelled. Comp. Radiopharma., 38, 207 (1996). |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.0301698 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.0301698 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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