5-[(2-Chloro-4-fluorophenoxy)methyl]thiophene-2-carboxylic acid - CAS 934127-20-5
Catalog: |
BB049223 |
Product Name: |
5-[(2-Chloro-4-fluorophenoxy)methyl]thiophene-2-carboxylic acid |
CAS: |
934127-20-5 |
Synonyms: |
5-(2-chloro-4-fluorophenoxymethyl)thiophene-2-carboxylic acid |
IUPAC Name: | 5-[(2-chloro-4-fluorophenoxy)methyl]thiophene-2-carboxylic acid |
Description: | 5-[(2-Chloro-4-fluorophenoxy)methyl]thiophene-2-carboxylic acid (CAS# 934127-20-5 ) is a useful research chemical. |
Molecular Weight: | 286.71 |
Molecular Formula: | C12H8ClFO3S |
Canonical SMILES: | C1=CC(=C(C=C1F)Cl)OCC2=CC=C(S2)C(=O)O |
InChI: | InChI=1S/C12H8ClFO3S/c13-9-5-7(14)1-3-10(9)17-6-8-2-4-11(18-8)12(15)16/h1-5H,6H2,(H,15,16) |
InChI Key: | ZGFFSPKCSZGCAQ-UHFFFAOYSA-N |
Boiling Point: | 451.8±45.0 ℃ at 760 mmHg |
Density: | 1.490±0.06 g/cm3 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.9866711 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.9866711 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 74.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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