| CAS Number | 75294-49-4 |
| Catalog Number | AG005MF0(AGN-PC-09T63D) |
| Chemical Name | Benzoic acid,4-amino-2-chloro-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 4-amino-2-chlorobenzoate |
| InChI | InChI=1S/C11H14ClNO2/c1-11(2,3)15-10(14)8-5-4-7(13)6-9(8)12/h4-6H,13H2,1-3H3 |
| InChI Key | LLOXEUOQRNPJJK-UHFFFAOYSA-N |
| MDL Number | MFCD08703413 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | CC(OC(C1=C(Cl)C=C(N)C=C1)=O)(C)C |
| Synonyms | TERT-BUTYL 4-AMINO-2-CHLOROBENZOATE,
75294-49-4,
Benzoic acid,4-amino-2-chloro-, 1,1-dimethylethyl ester,
SCHEMBL355647,
CTK5E1394,
DTXSID90700582,
LLOXEUOQRNPJJK-UHFFFAOYSA-N,
ZINC42289845,
AKOS010564148,
SC-59816,
Benzoic acid, 4-amino-2-chloro-, 1,1-dimethylethyl ester,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.688g/mol |
| Monoisotopic Mass | 227.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number