2-Amino-4-chloro-5-fluorobenzoic Acid - CAS 108288-16-0
Catalog: |
BB002230 |
Product Name: |
2-Amino-4-chloro-5-fluorobenzoic Acid |
CAS: |
108288-16-0 |
Synonyms: |
2-amino-4-chloro-5-fluorobenzoic acid; 2-amino-4-chloro-5-fluorobenzoic acid |
IUPAC Name: | 2-amino-4-chloro-5-fluorobenzoic acid |
Description: | 2-Amino-4-chloro-5-fluorobenzoic Acid (CAS# 108288-16-0) is used to synthesize 2-styrylquinazolin-4(3H)-ones, a new class of antimitotic anticancer agents which inhibit tubulin polymerization. |
Molecular Weight: | 189.57 |
Molecular Formula: | C7H5ClFNO2 |
Canonical SMILES: | C1=C(C(=CC(=C1F)Cl)N)C(=O)O |
InChI: | InChI=1S/C7H5ClFNO2/c8-4-2-6(10)3(7(11)12)1-5(4)9/h1-2H,10H2,(H,11,12) |
InChI Key: | NGCSJYVKMMNJIJ-UHFFFAOYSA-N |
Boiling Point: | 350.096 °C at 760 mmHg |
Density: | 1.574 g/cm3 |
LogP: | 2.34070 |
Publication Number | Title | Priority Date |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
CN-111018839-A | Triazole alcohol derivative and preparation method and application thereof | 20191202 |
AU-2015257540-A1 | Pharmacologically active quinazolinedione derivatives | 20140509 |
CA-2945217-A1 | Pharmacologically active quinazolinedione derivatives | 20140509 |
EP-3140301-A1 | Pharmacologically active quinazolinedione derivatives | 20140509 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.9992843 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.9992843 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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