| CAS Number | 1334499-95-4 |
| Catalog Number | AG0080HJ(AGN-PC-0WAB6P) |
| Chemical Name | 5-Bromo-4-carboxymethyl-2-chromanone |
| IUPAC Name | 2-(5-bromo-2-oxo-3,4-dihydrochromen-4-yl)acetic acid |
| InChI | InChI=1S/C11H9BrO4/c12-7-2-1-3-8-11(7)6(4-9(13)14)5-10(15)16-8/h1-3,6H,4-5H2,(H,13,14) |
| InChI Key | BATNSUNQCYYYJI-UHFFFAOYSA-N |
| MDL Number | MFCD20231489 |
| Molecular Formula | C11H9BrO4 |
| Molecular Weight | 285.0908 |
| SMILES | OC(=O)CC1CC(=O)Oc2c1c(Br)ccc2 |
| Synonyms | 1334499-95-4,
5-Bromo-4-carboxymethyl-2-chromanone,
2-(5-Bromo-2-oxochroman-4-yl)acetic acid,
ACMC-209bs4,
CTK8B0184,
DTXSID10716660,
ANW-19538,
MFCD20231489,
AKOS015908033,
AX8240325,
TC-108283,
Z9703,
B-7152,
I14-24733,
(5-Bromo-2-oxo-3,4-dihydro-2H-1-benzopyran-4-yl)acetic acid,
C11H9BrO4,
2-(5-Bromo-2-oxochroman-4-yl)aceticacid,
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| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.093g/mol |
| Monoisotopic Mass | 283.968g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number