| CAS Number | 51085-91-7 |
| Catalog Number | AG00D9Y2(AGN-PC-0KKLDA) |
| Chemical Name | 6-Bromochromone-3-carboxylic acid |
| IUPAC Name | 6-bromo-4-oxochromene-3-carboxylic acid |
| InChI | InChI=1S/C10H5BrO4/c11-5-1-2-8-6(3-5)9(12)7(4-15-8)10(13)14/h1-4H,(H,13,14) |
| InChI Key | IJTWNMVKNJSGMS-UHFFFAOYSA-N |
| MDL Number | MFCD01548933 |
| Molecular Formula | C10H5BrO4 |
| Molecular Weight | 269.0483 |
| SMILES | OC(=O)C1=COC2=CC=C(Br)C=C2C1=O |
| Synonyms | 6-Bromochromone-3-carboxylic acid,
51085-91-7,
6-BROMO-4-OXO-4H-CHROMENE-3-CARBOXYLIC ACID,
MFCD01548933,
6-bromo-4-oxochromene-3-carboxylic acid,
AC1MBUMD,
SCHEMBL3344909,
CTK4J3614,
6-Bromochromon-3-carboxylic acid,
DTXSID70373617,
IJTWNMVKNJSGMS-UHFFFAOYSA-N,
ZINC2380425,
5955AH,
AKOS000176837,
FS-6379,
A-7888,
C10H5BrO4,
CID2756898,
6-bromo-4-oxo-chromene-3-carboxylic Acid,
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| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.05g/mol |
| Monoisotopic Mass | 267.937g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number