Methyl 4-Chloro-3-fluorobenzoate - CAS 206362-87-0
Catalog: |
BB016121 |
Product Name: |
Methyl 4-Chloro-3-fluorobenzoate |
CAS: |
206362-87-0 |
Synonyms: |
4-chloro-3-fluorobenzoic acid methyl ester; methyl 4-chloro-3-fluorobenzoate |
IUPAC Name: | methyl 4-chloro-3-fluorobenzoate |
Description: | Methyl 4-Chloro-3-fluorobenzoate (CAS# 206362-87-0) is a useful research chemical. |
Molecular Weight: | 188.58 |
Molecular Formula: | C8H6ClFO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)Cl)F |
InChI: | InChI=1S/C8H6ClFO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3 |
InChI Key: | ZVXWVVRTWLVZKV-UHFFFAOYSA-N |
Boiling Point: | 233.1 °C at 760 mmHg |
Density: | 1.314 g/cm3 |
MDL: | MFCD00209299 |
LogP: | 2.26570 |
Publication Number | Title | Priority Date |
US-2018080314-A1 | Method of allocating individual oil or water production contributions from multiple combined sources | 20160921 |
WO-2018057219-A1 | Method of allocating individual oil or water production contributions from multiple combined sources | 20160921 |
AU-2015248466-A1 | Aryl and heteroaryl ether compounds as ROR gamma modulators | 20140416 |
CA-2940264-A1 | Aryl and heteroaryl ether compounds as ror gamma modulators | 20140416 |
EP-3131880-A1 | Aryl and heteroaryl ether compounds as ror gamma modulators | 20140416 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0040353 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0040353 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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