2-Chloro-5-(trifluoromethyl)phenylacetic Acid - CAS 22893-39-6
Catalog: |
BB017796 |
Product Name: |
2-Chloro-5-(trifluoromethyl)phenylacetic Acid |
CAS: |
22893-39-6 |
Synonyms: |
2-[2-chloro-5-(trifluoromethyl)phenyl]acetic acid; 2-[2-chloro-5-(trifluoromethyl)phenyl]acetic acid |
IUPAC Name: | 2-[2-chloro-5-(trifluoromethyl)phenyl]acetic acid |
Description: | 2-Chloro-5-(trifluoromethyl)phenylacetic Acid (CAS# 22893-39-6) is a useful research chemical. |
Molecular Weight: | 238.59 |
Molecular Formula: | C9H6ClF3O2 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)CC(=O)O)Cl |
InChI: | InChI=1S/C9H6ClF3O2/c10-7-2-1-6(9(11,12)13)3-5(7)4-8(14)15/h1-3H,4H2,(H,14,15) |
InChI Key: | PDKWZFJSOMUXLE-UHFFFAOYSA-N |
Boiling Point: | 282.8 °C at 760 mmHg |
Density: | 1.469 g/cm3 |
Appearance: | Colorless solid |
MDL: | MFCD01631471 |
LogP: | 2.98590 |
Publication Number | Title | Priority Date |
TW-202021970-A | New heterocyclic compounds | 20180813 |
CN-112469724-A | Novel heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
TW-202035421-A | New heterocyclic compounds | 20180813 |
CN-112867720-A | Novel heterocyclic compounds as monoacylglycerol lipase inhibitors | 20180813 |
CN-107848974-A | Aromatic sulfonamides derivative | 20150610 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.0008416 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.0008416 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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