Sodium 5-(Trifluoromethyl)pyridine-2-acetate - CAS 1956366-39-4
Catalog: |
BB015157 |
Product Name: |
Sodium 5-(Trifluoromethyl)pyridine-2-acetate |
CAS: |
1956366-39-4 |
Synonyms: |
sodium;2-[5-(trifluoromethyl)-2-pyridinyl]acetate; sodium;2-[5-(trifluoromethyl)pyridin-2-yl]acetate |
IUPAC Name: | sodium;2-[5-(trifluoromethyl)pyridin-2-yl]acetate |
Description: | Sodium 5-(Trifluoromethyl)pyridine-2-acetate (CAS# 1956366-39-4 ) is a useful research chemical. |
Molecular Weight: | 227.12 |
Molecular Formula: | C8H5F3NO2Na |
Canonical SMILES: | C1=CC(=NC=C1C(F)(F)F)CC(=O)[O-].[Na+] |
InChI: | InChI=1S/C8H6F3NO2.Na/c9-8(10,11)5-1-2-6(12-4-5)3-7(13)14;/h1-2,4H,3H2,(H,13,14);/q;+1/p-1 |
InChI Key: | YQFJHUQFVDXIBH-UHFFFAOYSA-M |
LogP: | 0.39280 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.01700717 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.01700717 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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