Ethyl 3-Amino-5-chlorobenzoate - CAS 1261269-01-5
Catalog: |
BB006468 |
Product Name: |
Ethyl 3-Amino-5-chlorobenzoate |
CAS: |
1261269-01-5 |
Synonyms: |
3-amino-5-chlorobenzoic acid ethyl ester; ethyl 3-amino-5-chlorobenzoate |
IUPAC Name: | ethyl 3-amino-5-chlorobenzoate |
Description: | Ethyl 3-Amino-5-chlorobenzoate (CAS# 1261269-01-5) is used as a reactant in the preparation of [2-(2-alkoxyphenyl)cyclopent-1-enyl] substituted (hetero)aromatic carboxylic acids with high affinity to the EP1 receptor. |
Molecular Weight: | 199.63 |
Molecular Formula: | C9H10ClNO2 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC(=C1)Cl)N |
InChI: | InChI=1S/C9H10ClNO2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2,11H2,1H3 |
InChI Key: | QZZLHCKPHMTUMA-UHFFFAOYSA-N |
LogP: | 2.68010 |
Publication Number | Title | Priority Date |
AU-2010233849-A1 | Substituted piperidines as CCR3 antagonists | 20090408 |
AU-2010233849-B2 | Substituted piperidines as CCR3 antagonists | 20090408 |
BR-PI1013821-B1 | PYRIDINES REPLACED AS ANTAGONISTS OF CCR3. | 20090408 |
CA-2753151-A1 | Substituted piperidines as ccr3 antagonists | 20090408 |
CA-2753151-C | Substituted piperidines as ccr3 antagonists | 20090408 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.0400063 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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