| CAS Number | 911297-03-5 |
| Catalog Number | AG00H4RK(AGN-PC-0VRQGE) |
| Chemical Name | tert-butyl N-(3-chloro-4-hydroxyphenyl)carbamate |
| IUPAC Name | tert-butyl N-(3-chloro-4-hydroxyphenyl)carbamate |
| InChI | InChI=1S/C11H14ClNO3/c1-11(2,3)16-10(15)13-7-4-5-9(14)8(12)6-7/h4-6,14H,1-3H3,(H,13,15) |
| InChI Key | HTKIMPSOKVLTQC-UHFFFAOYSA-N |
| MDL Number | MFCD20414539 |
| Molecular Formula | C11H14ClNO3 |
| Molecular Weight | 243.6868 |
| SMILES | CC(OC(NC1=CC(Cl)=C(O)C=C1)=O)(C)C |
| Synonyms | 911297-03-5,
tert-butyl N-(3-chloro-4-hydroxyphenyl)carbamate,
tert-butyl 3-chloro-4-hydroxyphenylcarbamate,
N-Boc-2-chloro-4-aminophenol,
SCHEMBL5425582,
ZINC82879647,
AKOS014115616,
MCULE-3744012709,
NE20899,
DA-40636,
FT-0762924,
Z1839475344,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.687g/mol |
| Monoisotopic Mass | 243.066g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number