| CAS Number | 1273602-53-1 |
| Catalog Number | AG000WZC(AGN-PC-0WCXGM) |
| Chemical Name | 3-Bromo-5-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid |
| IUPAC Name | 3-bromo-5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid |
| InChI | InChI=1S/C11H9BrO3/c12-6-4-8-7(2-1-3-10(8)13)9(5-6)11(14)15/h4-5H,1-3H2,(H,14,15) |
| InChI Key | GXGHYUYUTLETRT-UHFFFAOYSA-N |
| MDL Number | MFCD18648303 |
| Molecular Formula | C11H9BrO3 |
| Molecular Weight | 269.0914 |
| SMILES | O=C(C(C=C(Br)C=C12)=C2CCCC1=O)O |
| Synonyms | 3-Bromo-5-oxo-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid,
1273602-53-1,
MFCD18648303,
ZINC238710020,
AK172722,
AS-49802,
AX8297030,
1-Naphthalenecarboxylic acid, 3-bromo-5,6,7,8-tetrahydro-5-oxo-,
3-FLUORO-5-OXO-6,7,8-TRIHYDRONAPHTHALENE-2-CARBOXYLIC ACID,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.094g/mol |
| Monoisotopic Mass | 267.974g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number