| CAS Number | 877671-39-1 |
| Catalog Number | AG00IER9(AGN-PC-0WAEGN) |
| Chemical Name | N-BOC-3-Methoxy-4-nitroaniline |
| IUPAC Name | tert-butyl N-(3-methoxy-4-nitrophenyl)carbamate |
| InChI | InChI=1S/C12H16N2O5/c1-12(2,3)19-11(15)13-8-5-6-9(14(16)17)10(7-8)18-4/h5-7H,1-4H3,(H,13,15) |
| InChI Key | PIHXKPLPECCTDC-UHFFFAOYSA-N |
| MDL Number | MFCD22549310 |
| Molecular Formula | C12H16N2O5 |
| Molecular Weight | 268.2658 |
| SMILES | COC1=C([N+]([O-])=O)C=CC(NC(OC(C)(C)C)=O)=C1 |
| Synonyms | N-BOC-3-Methoxy-4-nitroaniline,
877671-39-1,
ZINC95217832,
V8552,
C12H16N2O5,
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| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.269g/mol |
| Monoisotopic Mass | 268.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number