1-(2-Fluoroethyl)-1H-pyrazole-5-carboxylic acid - CAS 1198437-45-4
Catalog: |
BB052314 |
Product Name: |
1-(2-Fluoroethyl)-1H-pyrazole-5-carboxylic acid |
CAS: |
1198437-45-4 |
Synonyms: |
1-(2-fluoroethyl)-1H-pyrazole-5-carboxylicacid |
IUPAC Name: | 2-(2-fluoroethyl)pyrazole-3-carboxylic acid |
Molecular Weight: | 158.13 |
Molecular Formula: | C6H7FN2O2 |
Canonical SMILES: | C1=C(N(N=C1)CCF)C(=O)O |
InChI: | InChI=1S/C6H7FN2O2/c7-2-4-9-5(6(10)11)1-3-8-9/h1,3H,2,4H2,(H,10,11) |
InChI Key: | KIZCLGNKVFCIEC-UHFFFAOYSA-N |
Boiling Point: | 335.5±22.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.04915563 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.04915563 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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