| CAS Number | 1263286-07-2 |
| Catalog Number | AG009WAQ(AGN-PC-0WAAYT) |
| Chemical Name | 5-Acetyl-2-bromo-benzoic acid methyl ester |
| IUPAC Name | methyl 5-acetyl-2-bromobenzoate |
| InChI | InChI=1S/C10H9BrO3/c1-6(12)7-3-4-9(11)8(5-7)10(13)14-2/h3-5H,1-2H3 |
| InChI Key | XPHIAVRWXRZWGE-UHFFFAOYSA-N |
| MDL Number | MFCD17676597 |
| Molecular Formula | C10H9BrO3 |
| Molecular Weight | 257.0807 |
| SMILES | O=C(OC)C1=CC(C(C)=O)=CC=C1Br |
| Synonyms | methyl 5-acetyl-2-bromobenzoate,
1263286-07-2,
AK141320,
5-ACETYL-2-BROMO-BENZOIC ACID METHYL ESTER,
KS-00000RUB,
MFCD17676597,
ZINC66325828,
AKOS015890922,
CS-W006373,
DS-7256,
FCH1362154,
AJ-116041,
AX8281507,
ST2407269,
TC-071958,
FT-0751486,
I01-8737,
ACN-038980,
70958-70-2,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.083g/mol |
| Monoisotopic Mass | 255.974g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number