| CAS Number | 496837-94-6 |
| Catalog Number | AG00DKL2(AGN-PC-0HT6K3) |
| Chemical Name | 5-benzyloxy-N-methyl-2-nitroaniline |
| IUPAC Name | N-methyl-2-nitro-5-phenylmethoxyaniline |
| InChI | InChI=1S/C14H14N2O3/c1-15-13-9-12(7-8-14(13)16(17)18)19-10-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3 |
| InChI Key | AECXJADMKJXBOY-UHFFFAOYSA-N |
| MDL Number | MFCD24448841 |
| Molecular Formula | C14H14N2O3 |
| Molecular Weight | 258.2726 |
| SMILES | CNc1cc(OCc2ccccc2)ccc1[N+](=O)[O-] |
| Synonyms | 5-benzyloxy-N-methyl-2-nitroaniline,
496837-94-6,
5-(benzyloxy)-N-methyl-2-nitroaniline,
5-(benzyloxy)-N-methyl-2-nitrobenzenamine,
SCHEMBL9893444,
CTK1D0654,
DTXSID60737845,
AECXJADMKJXBOY-UHFFFAOYSA-N,
ZINC90505400,
N-Methyl-2-nitro-5-(benzyloxy)aniline,
CJ-22583,
FT-0769601,
V6188,
Benzenamine, N-methyl-2-nitro-5-(phenylmethoxy)-,
C14H14N2O3,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.277g/mol |
| Monoisotopic Mass | 258.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number