| CAS Number | 220913-42-8 |
| Catalog Number | AG00CGAJ(AGN-PC-0WQWZR) |
| Chemical Name | Tert-butyl 2-fluoro-4-nitrophenylcarbamate |
| IUPAC Name | tert-butyl N-(2-fluoro-4-nitrophenyl)carbamate |
| InChI | InChI=1S/C11H13FN2O4/c1-11(2,3)18-10(15)13-9-5-4-7(14(16)17)6-8(9)12/h4-6H,1-3H3,(H,13,15) |
| InChI Key | ISUVTQPDPBJTCK-UHFFFAOYSA-N |
| MDL Number | MFCD09953069 |
| Molecular Formula | C11H13FN2O4 |
| Molecular Weight | 256.2303 |
| SMILES | CC(OC(NC1=C(F)C=C([N+]([O-])=O)C=C1)=O)(C)C |
| Synonyms | 220913-42-8,
TERT-BUTYL 2-FLUORO-4-NITROPHENYLCARBAMATE,
tert-Butyl (2-fluoro-4-nitrophenyl)carbamate,
SCHEMBL2831541,
DTXSID80627719,
ISUVTQPDPBJTCK-UHFFFAOYSA-N,
AB3399,
MFCD09953069,
ZINC83502401,
AKOS014476521,
4-tert-Butyloxycarbonylamino-3-fluoro-1-nitrobenzene,
TERT-BUTYL2-FLUORO-4-NITROPHENYLCARBAMATE,
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| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.233g/mol |
| Monoisotopic Mass | 256.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number