Methyl 6-bromo-3,4-dihydro-2H-1-benzopyran-2-carboxylate - CAS 1216183-10-6
Catalog: |
BB059810 |
Product Name: |
Methyl 6-bromo-3,4-dihydro-2H-1-benzopyran-2-carboxylate |
CAS: |
1216183-10-6 |
Synonyms: |
Methyl 6-bromochroman-2-carboxylate; Methyl 6-bromo-3,4-dihydro-2H-1-benzopyran-2-carboxylate; methyl 6-bromo-3,4-dihydro-2H-chromene-2-carboxylate; Methyl6-bromochroman-2-carboxylate; 6-Bromo-chroman-2-carboxylic acid methyl ester |
IUPAC Name: | methyl 6-bromo-3,4-dihydro-2H-chromene-2-carboxylate |
Description: | Methyl 6-bromo-3,4-dihydro-2H-1-benzopyran-2-carboxylate |
Molecular Weight: | 271.1 |
Molecular Formula: | C11H11BrO3 |
Canonical SMILES: | COC(=O)C1CCC2=C(O1)C=CC(=C2)Br |
InChI: | InChI=1S/C11H11BrO3/c1-14-11(13)10-4-2-7-6-8(12)3-5-9(7)15-10/h3,5-6,10H,2,4H2,1H3 |
InChI Key: | VWCNPBJEYCPANM-UHFFFAOYSA-N |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.98916 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.98916 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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