Methyl 3-Chloro-4-isopropoxybenzoate - CAS 213598-06-2
Catalog: |
BB016781 |
Product Name: |
Methyl 3-Chloro-4-isopropoxybenzoate |
CAS: |
213598-06-2 |
Synonyms: |
3-chloro-4-propan-2-yloxybenzoic acid methyl ester; methyl 3-chloro-4-propan-2-yloxybenzoate |
IUPAC Name: | methyl 3-chloro-4-propan-2-yloxybenzoate |
Description: | Methyl 3-Chloro-4-isopropoxybenzoate (CAS# 213598-06-2 ) is a useful research chemical. |
Molecular Weight: | 228.67 |
Molecular Formula: | C11H13ClO3 |
Canonical SMILES: | CC(C)OC1=C(C=C(C=C1)C(=O)OC)Cl |
InChI: | InChI=1S/C11H13ClO3/c1-7(2)15-10-5-4-8(6-9(10)12)11(13)14-3/h4-7H,1-3H3 |
InChI Key: | UXAJQOWYJGUDCQ-UHFFFAOYSA-N |
LogP: | 2.91380 |
Publication Number | Title | Priority Date |
EP-3492465-A1 | S1p1 agonist and application thereof | 20160722 |
WO-2017004609-A1 | Thiadiazole modulators of s1p and methods of making and using | 20150702 |
EP-3062792-A1 | Selective sphingosine 1 phosphate receptor modulators and combination therapy therewith | 20131101 |
US-2017165236-A1 | Selective sphingosine 1 phosphate receptor modulators and combination therapy therewith | 20131101 |
WO-2015066515-A1 | Selective sphingosine 1 phosphate receptor modulators and combination therapy therewith | 20131101 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.055322 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.055322 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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