3-(2-Chloro-4-fluorophenyl)propanoic Acid - CAS 174603-38-4
Catalog: |
BB013026 |
Product Name: |
3-(2-Chloro-4-fluorophenyl)propanoic Acid |
CAS: |
174603-38-4 |
Synonyms: |
3-(2-chloro-4-fluorophenyl)propanoic acid; 3-(2-chloro-4-fluorophenyl)propanoic acid |
IUPAC Name: | 3-(2-chloro-4-fluorophenyl)propanoic acid |
Description: | 3-(2-Chloro-4-fluorophenyl)propanoic Acid (CAS# 174603-38-4) is a useful research chemical. |
Molecular Weight: | 202.61 |
Molecular Formula: | C9H8ClFO2 |
Canonical SMILES: | C1=CC(=C(C=C1F)Cl)CCC(=O)O |
InChI: | InChI=1S/C9H8ClFO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1,3,5H,2,4H2,(H,12,13) |
InChI Key: | CWLAMJYAQMNGPA-UHFFFAOYSA-N |
LogP: | 2.49630 |
Publication Number | Title | Priority Date |
DE-60216747-T2 | GUANIDINE COMPOUNDS AS MELANOCORTIN-4-RECEPTOR (MC4-R) AGONISTS | 20010409 |
EP-1385823-A1 | Novel guanidino compounds | 20010409 |
EP-1385823-A4 | NEW GUANIDINOVER BINDINGS | 20010409 |
EP-1385823-B1 | Guanidino compounds as melanocortin-4 receptor (mc4-r) agonists | 20010409 |
EP-1767525-A1 | Guanidino compounds as melanocortin-4 receptor (MC4-R) agonists | 20010409 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0196853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0196853 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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