| CAS Number | 478538-80-6 |
| Catalog Number | AG00IMPG(AGN-PC-009KB3) |
| Chemical Name | (2-Bromo-1-phenylethyl)carbamic acid 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(2-bromo-1-phenylethyl)carbamate |
| InChI | InChI=1S/C13H18BrNO2/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,16) |
| InChI Key | CISQKOWVTCOHDF-UHFFFAOYSA-N |
| MDL Number | MFCD23722998 |
| Molecular Formula | C13H18BrNO2 |
| Molecular Weight | 300.1915 |
| SMILES | C(NC(=O)OC(C)(C)C)(CBr)c1ccccc1 |
| Synonyms | tert-Butyl N-(2-bromo-1-phenylethyl)carbamate,
478538-80-6,
SCHEMBL6007345,
AKOS017385939,
alpha-(Bromomethyl)benzylcarbamic acid tert-butyl ester,
Carbamic acid, (2-bromo-1-phenylethyl)-, 1,1-dimethylethyl ester,
CID11460774,
Tert-butyl N-(2-bromo-1-phenyl-ethyl)carbamate,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.196g/mol |
| Monoisotopic Mass | 299.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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