Ethyl 3-Amino-4-fluorobenzoate - CAS 455-75-4
Catalog: |
BB025933 |
Product Name: |
Ethyl 3-Amino-4-fluorobenzoate |
CAS: |
455-75-4 |
Synonyms: |
3-amino-4-fluorobenzoic acid ethyl ester; ethyl 3-amino-4-fluorobenzoate |
IUPAC Name: | ethyl 3-amino-4-fluorobenzoate |
Description: | Ethyl 3-Amino-4-fluorobenzoate (CAS# 455-75-4) is a useful research chemical. |
Molecular Weight: | 183.18 |
Molecular Formula: | C9H10FNO2 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1)F)N |
InChI: | InChI=1S/C9H10FNO2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,11H2,1H3 |
InChI Key: | XRJOTWKQZHOXTM-UHFFFAOYSA-N |
Boiling Point: | 285.5 °C at 760 mmHg |
Density: | 1.218 g/cm3 |
Appearance: | Reddish solid |
MDL: | MFCD03840487 |
LogP: | 2.16580 |
Publication Number | Title | Priority Date |
WO-2020102576-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
TW-202033504-A | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
EP-3880659-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
EP-2406234-A1 | Thiazole sulfonamide and oxazole sulfonamide kinase inhibitors | 20090312 |
US-2011319392-A1 | Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors | 20090312 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.06955672 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.06955672 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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