| CAS Number | 1186637-29-5 |
| Catalog Number | AG0096ZE |
| Chemical Name | Tert-butyl (2-bromo-5-methylphenyl)carbamate |
| IUPAC Name | tert-butyl N-(2-bromo-5-methylphenyl)carbamate |
| InChI | InChI=1S/C12H16BrNO2/c1-8-5-6-9(13)10(7-8)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15) |
| InChI Key | LNDXQPRPVWOSKR-UHFFFAOYSA-N |
| MDL Number | MFCD24229813 |
| Molecular Formula | C12H16BrNO2 |
| Molecular Weight | 286.1649 |
| SMILES | c1c(cc(c(c1)Br)NC(=O)OC(C)(C)C)C |
| Synonyms | N-BOC 2-bromo-5-methylaniline,
1186637-29-5,
tert-butyl 2-bromo-5-methylphenylcarbamate,
SCHEMBL1008737,
LNDXQPRPVWOSKR-UHFFFAOYSA-N,
ZINC97756617,
AKOS026672481,
(2-Bromo-5-methyl-phenyl)-carbamic acid tert-butyl ester,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.169g/mol |
| Monoisotopic Mass | 285.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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