Methyl 3-Chloro-4-fluorobenzoate - CAS 234082-35-0
Catalog: |
BB018044 |
Product Name: |
Methyl 3-Chloro-4-fluorobenzoate |
CAS: |
234082-35-0 |
Synonyms: |
3-chloro-4-fluorobenzoic acid methyl ester; methyl 3-chloro-4-fluorobenzoate |
IUPAC Name: | methyl 3-chloro-4-fluorobenzoate |
Description: | Methyl 3-Chloro-4-fluorobenzoate (CAS# 234082-35-0) is a useful research chemical. |
Molecular Weight: | 188.58 |
Molecular Formula: | C8H6ClFO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)F)Cl |
InChI: | InChI=1S/C8H6ClFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3 |
InChI Key: | RUTYNTBIMOCJMW-UHFFFAOYSA-N |
Boiling Point: | 238 ℃ at 760 mmHg |
Density: | 1.314 g/cm3 |
MDL: | MFCD06203675 |
LogP: | 2.26570 |
Publication Number | Title | Priority Date |
WO-2020207941-A1 | Heterocyclic compounds as inhibitors of monoacylglycerol lipase (magl) | 20190409 |
TW-202104236-A | New heterocyclic compounds | 20190409 |
AU-2017388376-A1 | Poly-ADP ribose polymerase (PARP) inhibitors | 20161230 |
BR-112019011676-A2 | polyadp ribose polymerase (parp) inhibitors | 20161230 |
CA-3047137-A1 | Poly-adp ribose polymerase (parp) inhibitors | 20161230 |
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: | 2.6 |
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