CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 173.47 Ų [M+H]+ [CCS Type: TW] |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Health Hazard GHS08 Environment GHS09 |
GHS Hazard Statements |
H361:Reproductive toxicity H400:Hazardous to the aquatic environment, acute hazard |
Precautionary Statement Codes |
P201:Obtain special instructions before use. P273:Avoid release to the environment. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
Molecular Weight | 327.25 g/mol |
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XLogP3 | 2.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 5 |
Exact Mass | 327.07184235 g/mol |
Monoisotopic Mass | 327.07184235 g/mol |
Topological Polar Surface Area | 68.6 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 397 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid is a monocarboxylic acid that is propanoic acid substituted by a 4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy group at position 2. It is an aromatic ether, a monocarboxylic acid, an organofluorine compound and a member of pyridines.