4-[(3-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic Acid - CAS 905811-21-4
Catalog: |
BB039898 |
Product Name: |
4-[(3-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic Acid |
CAS: |
905811-21-4 |
Synonyms: |
4-[(3-chlorophenoxy)methyl]-5-methyl-3-isoxazolecarboxylic acid; 4-[(3-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid |
IUPAC Name: | 4-[(3-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid |
Description: | 4-[(3-Chlorophenoxy)methyl]-5-methylisoxazole-3-carboxylic Acid (CAS# 905811-21-4) is a useful research chemical. |
Molecular Weight: | 267.67 |
Molecular Formula: | C12H10ClNO4 |
Canonical SMILES: | CC1=C(C(=NO1)C(=O)O)COC2=CC(=CC=C2)Cl |
InChI: | InChI=1S/C12H10ClNO4/c1-7-10(11(12(15)16)14-18-7)6-17-9-4-2-3-8(13)5-9/h2-5H,6H2,1H3,(H,15,16) |
InChI Key: | ODSXWSDYHUCHCO-UHFFFAOYSA-N |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.0298355 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.0298355 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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