methyl 2-(4-chlorophenyl)-2-hydroxyacetate - CAS 13305-19-6
Catalog: |
BB072767 |
Product Name: |
methyl 2-(4-chlorophenyl)-2-hydroxyacetate |
CAS: |
13305-19-6 |
Synonyms: |
methyl 2-(4-chlorophenyl)-2-hydroxyacetate; Methyl (4-chlorophenyl)(hydroxy)acetate; (4-chloro-phenyl)-hydroxy-acetic acid methyl ester; (4-chlorophenyl)hydroxyacetic acid methyl ester; 4-chloromandelic acid methyl ester |
IUPAC Name: | methyl 2-(4-chlorophenyl)-2-hydroxyacetate |
Description: | methyl 2-(4-chlorophenyl)-2-hydroxyacetate (cas# 13305-19-6) is a useful research chemical. |
Molecular Weight: | 200.61 |
Molecular Formula: | C9H9O3Cl |
Canonical SMILES: | COC(=O)C(C1=CC=C(C=C1)Cl)O |
InChI: | InChI=1S/C9H9ClO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8,11H,1H3 |
InChI Key: | GISNRFMQCNBYDG-UHFFFAOYSA-N |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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