| CAS Number | 1315180-34-7 |
| Catalog Number | AG00HSK3(AGN-PC-0WQWTL) |
| Chemical Name | tert-butyl N-(3-chloro-2-fluorophenyl)carbamate |
| IUPAC Name | tert-butyl N-(3-chloro-2-fluorophenyl)carbamate |
| InChI | InChI=1S/C11H13ClFNO2/c1-11(2,3)16-10(15)14-8-6-4-5-7(12)9(8)13/h4-6H,1-3H3,(H,14,15) |
| InChI Key | IPPOWMWDIHORPA-UHFFFAOYSA-N |
| MDL Number | MFCD11215473 |
| Molecular Formula | C11H13ClFNO2 |
| Molecular Weight | 245.6778 |
| SMILES | CC(OC(NC1=C(F)C(Cl)=CC=C1)=O)(C)C |
| Synonyms | 1315180-34-7,
tert-butyl N-(3-chloro-2-fluorophenyl)carbamate,
tert-Butyl (3-chloro-2-fluorophenyl)carbamate,
SCHEMBL12517737,
ZINC83502184,
AKOS014476359,
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| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.678g/mol |
| Monoisotopic Mass | 245.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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