| CAS Number | 873852-20-1 |
| Catalog Number | AG01C1B4(AGN-PC-0DQ6P7) |
| Chemical Name | tert-Butyl 3-amino-4-chlorobenzoate |
| IUPAC Name | tert-butyl 3-amino-4-chlorobenzoate |
| InChI | InChI=1S/C11H14ClNO2/c1-11(2,3)15-10(14)7-4-5-8(12)9(13)6-7/h4-6H,13H2,1-3H3 |
| InChI Key | IUDMCRKDUAROBE-UHFFFAOYSA-N |
| MDL Number | MFCD12804792 |
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.6874 |
| SMILES | CC(OC(C1=CC(N)=C(Cl)C=C1)=O)(C)C |
| Synonyms | tert-butyl 3-amino-4-chlorobenzoate,
873852-20-1,
SCHEMBL2686416,
IUDMCRKDUAROBE-UHFFFAOYSA-N,
ZINC37729905,
AKOS010135240,
3-amino-4-chlorobenzoic acid tert-butyl ester,
Z600614538,
N/A,
|
| 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
Certificate of Analysis
Lot Number