| CAS Number | 630410-29-6 |
| Catalog Number | AG00IB4Z(AGN-PC-0233MW) |
| Chemical Name | TERT-BUTYL 4-METHYL-3-NITROPHENYLCARBAMATE |
| IUPAC Name | tert-butyl N-(4-methyl-3-nitrophenyl)carbamate |
| InChI | InChI=1S/C12H16N2O4/c1-8-5-6-9(7-10(8)14(16)17)13-11(15)18-12(2,3)4/h5-7H,1-4H3,(H,13,15) |
| InChI Key | OYZZRHITGOKJDR-UHFFFAOYSA-N |
| MDL Number | MFCD20039779 |
| Molecular Formula | C12H16N2O4 |
| Molecular Weight | 252.2664 |
| SMILES | CC1=C([N+]([O-])=O)C=C(NC(OC(C)(C)C)=O)C=C1 |
| Synonyms | 630410-29-6,
tert-Butyl 4-methyl-3-nitrophenylcarbamate,
tert-Butyl (4-methyl-3-nitrophenyl)carbamate,
N-Boc-4-methyl-3-nitroaniline,
SCHEMBL1697905,
CTK1I8422,
DTXSID10596828,
OYZZRHITGOKJDR-UHFFFAOYSA-N,
MFCD20039779,
ZINC71780963,
AKOS014476307,
t-Butyl 4-methyl-3-nitrophenylcarbamate,
SY237143,
tert-butyl(4-methyl-3-nitrophenyl)carbamate,
MFCD20039779 (95%),
(4-Methyl-3-nitro-phenyl)-carbamic acid tert-butyl ester,
Carbamic acid, (4-methyl-3-nitrophenyl)-, 1,1-dimethylethyl ester,
219492-81-6,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.27g/mol |
| Monoisotopic Mass | 252.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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