IUPAC Name: | 4-amino-3-chlorobenzoic acid |
Description: | 4-Amino-3-chlorobenzoic acid (CAS# 2486-71-7) is a reagent used in the synthesis of orally bioavailable 1H-Pyrrolo[3,2-c]pyridine inhibitors of mitotic kinase MPS1which is overexpressed in cancer cell lines. |
Molecular Weight: | 171.58 |
Molecular Formula: | C7H6ClNO2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)Cl)N |
InChI: | InChI=1S/C7H6ClNO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11) |
InChI Key: | YIYBPEDZAUFQLO-UHFFFAOYSA-N |
Boiling Point: | 341.2 °C at 760 mmHg |
Melting Point: | 228 °C |
Purity: | 98 % |
Density: | 1.476 g/cm3 |
Appearance: | Off-white solid |
MDL: | MFCD00460423 |
LogP: | 2.20160 |
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Related Functional Groups
Carbonyl Compounds
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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