| CAS Number | 1216183-10-6 |
| Catalog Number | AG00HGBA(AGN-PC-0WP1Q6) |
| Chemical Name | methyl 6-bromo-3,4-dihydro-2H-1-benzopyran-2-carboxylate |
| IUPAC Name | methyl 6-bromo-3,4-dihydro-2H-chromene-2-carboxylate |
| 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 |
| MDL Number | MFCD13705437 |
| Molecular Formula | C11H11BrO3 |
| Molecular Weight | 271.1072 |
| SMILES | O=C(C1CCC2=C(O1)C=CC(Br)=C2)OC |
| Synonyms | Methyl 6-bromochroman-2-carboxylate,
1216183-10-6,
Methyl 6-bromo-3,4-dihydro-2H-1-benzopyran-2-carboxylate,
(R)-Methyl 6-bromochroman-2-carboxylate,
(S)-Methyl 6-bromochroman-2-carboxylate,
SCHEMBL15880867,
6-Bromo-chroman-2-carboxylic acid methyl ester,
N/A,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.11g/mol |
| Monoisotopic Mass | 269.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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