| CAS Number | 1202551-75-4 |
| Catalog Number | AG0096Z1 |
| Chemical Name | 5-Bromo-2-methyl-benzoic acid tert-butyl ester |
| IUPAC Name | tert-butyl 5-bromo-2-methylbenzoate |
| InChI | InChI=1S/C12H15BrO2/c1-8-5-6-9(13)7-10(8)11(14)15-12(2,3)4/h5-7H,1-4H3 |
| InChI Key | YROBYZPUNZSEFZ-UHFFFAOYSA-N |
| MDL Number | MFCD21508504 |
| Molecular Formula | C12H15BrO2 |
| Molecular Weight | 271.1503 |
| SMILES | O=C(c1cc(Br)ccc1C)OC(C)(C)C |
| Synonyms | tert-butyl 5-bromo-2-methylbenzoate,
1202551-75-4,
5-bromo-2-methyl-benzoic acid tert-butyl ester,
SCHEMBL1605808,
t-Butyl 5-bromo-2-methylbenzoate,
YROBYZPUNZSEFZ-UHFFFAOYSA-N,
MFCD21508504,
ZINC87743796,
AKOS014646593,
NE30447,
CS-0047200,
A1-07805,
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| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.154g/mol |
| Monoisotopic Mass | 270.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number