Methyl 4-bromo-2-(2-methoxy-2-oxoethyl)benzoate - CAS 1403483-70-4
Catalog: |
BB056451 |
Product Name: |
Methyl 4-bromo-2-(2-methoxy-2-oxoethyl)benzoate |
CAS: |
1403483-70-4 |
Synonyms: |
methyl 4-bromo-2-(2-methoxy-2-oxoethyl)benzoate;methyl4-bromo-2-(2-methoxy-2-oxoethyl)benzoate |
IUPAC Name: | methyl 4-bromo-2-(2-methoxy-2-oxoethyl)benzoate |
Description: | Methyl 4-bromo-2-(2-methoxy-2-oxoethyl)benzoate |
Molecular Weight: | 287.11 |
Molecular Formula: | C11H11BrO4 |
Canonical SMILES: | COC(=O)CC1=C(C=CC(=C1)Br)C(=O)OC |
InChI: | InChI=1S/C11H11BrO4/c1-15-10(13)6-7-5-8(12)3-4-9(7)11(14)16-2/h3-5H,6H2,1-2H3 |
InChI Key: | HHGOFKSYBIJJTF-UHFFFAOYSA-N |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.98407 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.98407 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 52.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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