Methyl 4-Fluoro-3-(trifluoromethyl)benzoate - CAS 176694-36-3
Catalog: |
BB013242 |
Product Name: |
Methyl 4-Fluoro-3-(trifluoromethyl)benzoate |
CAS: |
176694-36-3 |
Synonyms: |
4-fluoro-3-(trifluoromethyl)benzoic acid methyl ester; methyl 4-fluoro-3-(trifluoromethyl)benzoate |
IUPAC Name: | methyl 4-fluoro-3-(trifluoromethyl)benzoate |
Description: | Methyl 4-Fluoro-3-(trifluoromethyl)benzoate (CAS# 176694-36-3) is a useful research chemical. |
Molecular Weight: | 222.14 |
Molecular Formula: | C9H6F4O2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)F)C(F)(F)F |
InChI: | InChI=1S/C9H6F4O2/c1-15-8(14)5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3 |
InChI Key: | IRYBOHVMFKZODT-UHFFFAOYSA-N |
Boiling Point: | 218.553 °C at 760 mmHg |
Density: | 1.346 g/cm3 |
MDL: | MFCD06203709 |
LogP: | 2.63110 |
Publication Number | Title | Priority Date |
TW-202024177-A | Method for forming coating film of photocurable fluoropolyether elastomer composition | 20181204 |
CN-113165012-A | Method for forming coating film of photocurable fluoropolyether elastomer composition | 20181204 |
EP-3892391-A1 | Method for forming coating film of photosetting fluoropolyether-based elastomer composition | 20181204 |
WO-2020043866-A1 | Compounds | 20180831 |
EP-3843844-A1 | Compounds | 20180831 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.03039208 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.03039208 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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