3-(2-Chlorophenyl)-2-cyanopropionic Acid - CAS 14650-19-2
Catalog: |
BB010092 |
Product Name: |
3-(2-Chlorophenyl)-2-cyanopropionic Acid |
CAS: |
14650-19-2 |
Synonyms: |
3-(2-chlorophenyl)-2-cyanopropanoic acid; 3-(2-chlorophenyl)-2-cyanopropanoic acid |
IUPAC Name: | 3-(2-chlorophenyl)-2-cyanopropanoic acid |
Description: | 3-(2-Chlorophenyl)-2-cyanopropionic Acid (CAS# 14650-19-2) is a useful research chemical. |
Molecular Weight: | 209.63 |
Molecular Formula: | C10H8ClNO2 |
Canonical SMILES: | C1=CC=C(C(=C1)CC(C#N)C(=O)O)Cl |
InChI: | InChI=1S/C10H8ClNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-4,8H,5H2,(H,13,14) |
InChI Key: | KSLANAUEYUSFCF-UHFFFAOYSA-N |
Boiling Point: | 387.5 ℃ at 760 mmHg |
Density: | 1.347 g/cm3 |
MDL: | MFCD00021688 |
LogP: | 2.10688 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CZ-20004923-A3 | Paroxetine salts | 19980702 |
EP-1091958-A1 | Salts of paroxetine | 19980702 |
HU-0103712-A2 | Paroxetine salts, a process for their preparation and their therapeutic use | 19980702 |
KR-20010053337-A | Salts of Paroxetine | 19980702 |
SK-20242000-A3 | PAROXETINE SALT, METHOD OF ITS PREPARATION AND USE | 19980702 |
Complexity: | 258 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.0243562 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 61.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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