Ethyl 3-(4-Amino-2-fluorophenyl)propanoate - CAS 865137-77-5
Catalog: |
BB037966 |
Product Name: |
Ethyl 3-(4-Amino-2-fluorophenyl)propanoate |
CAS: |
865137-77-5 |
Synonyms: |
3-(4-amino-2-fluorophenyl)propanoic acid ethyl ester; ethyl 3-(4-amino-2-fluorophenyl)propanoate |
IUPAC Name: | ethyl 3-(4-amino-2-fluorophenyl)propanoate |
Description: | Ethyl 3-(4-Amino-2-fluorophenyl)propanoate (CAS# 865137-77-5) is a useful research chemical. |
Molecular Weight: | 211.23 |
Molecular Formula: | C11H14FNO2 |
Canonical SMILES: | CCOC(=O)CCC1=C(C=C(C=C1)N)F |
InChI: | InChI=1S/C11H14FNO2/c1-2-15-11(14)6-4-8-3-5-9(13)7-10(8)12/h3,5,7H,2,4,6,13H2,1H3 |
InChI Key: | BAYWUAWGVDHBDA-UHFFFAOYSA-N |
LogP: | 2.48480 |
Publication Number | Title | Priority Date |
AU-2007326449-A1 | Carboxylic acid derivative | 20061201 |
CA-2671080-A1 | Carboxylic acid derivatives | 20061201 |
EP-2096109-A1 | Carboxylic acid derivative | 20061201 |
JP-WO2008066097-A1 | Carboxylic acid derivatives | 20061201 |
TW-200838526-A | Carboxylic acid derivatives | 20061201 |
Complexity: | 211 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.10085685 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.10085685 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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