| CAS Number | 3681-79-6 |
| Catalog Number | AG00C80R(AGN-PC-0RCSJB) |
| Chemical Name | NITRO-15N-BENZENE |
| IUPAC Name | [oxido(oxo)(15N)(15N)azaniumyl]benzene |
| InChI | InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H/i7+1 |
| InChI Key | LQNUZADURLCDLV-CDYZYAPPSA-N |
| MDL Number | MFCD00084231 |
| Molecular Formula | C6H5NO2 |
| Molecular Weight | 124.1028 |
| SMILES | C1=CC=C(C=C1)[15N+](=O)[O-] |
| Synonyms | Nitrobenzene-15N,
3681-79-6,
nitrobenzene 15n,
SCHEMBL1330825,
DTXSID50480611,
MFCD00084231,
Nitrobenzene-15N, 98 atom % 15N,
ACM3681796,
[oxido(oxo)azaniumyl]benzene,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 1 |
| Molecular Weight | 124.104g/mol |
| Monoisotopic Mass | 124.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number