| CAS Number | 1881328-92-2 |
| Catalog Number | AG00I2I5(AGN-PC-0WQWLY) |
| Chemical Name | tert-butyl N-(4-bromo-3-chloro-2-methylphenyl)carbamate |
| IUPAC Name | tert-butyl N-(4-bromo-3-chloro-2-methylphenyl)carbamate |
| InChI | InChI=1S/C12H15BrClNO2/c1-7-9(6-5-8(13)10(7)14)15-11(16)17-12(2,3)4/h5-6H,1-4H3,(H,15,16) |
| InChI Key | ZSPCPNSTLROHKN-UHFFFAOYSA-N |
| MDL Number | MFCD29043323 |
| Molecular Formula | C12H15BrClNO2 |
| Molecular Weight | 320.6100 |
| SMILES | CC1=C(NC(OC(C)(C)C)=O)C=CC(Br)=C1Cl |
| Synonyms | TERT-BUTYL N-(4-BROMO-3-CHLORO-2-METHYLPHENYL)CARBAMATE,
1881328-92-2,
ZINC261494522,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.611g/mol |
| Monoisotopic Mass | 318.997g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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