| CAS Number | 1977535-33-3 |
| Catalog Number | AG01EPLA(AGN-PC-3H46PP) |
| Chemical Name | (3-nitrophenyl-1,2,3,4,5,6-13C6)hydrazine,monohydrochloride |
| IUPAC Name | (3-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)hydrazine;hydrochloride |
| InChI | InChI=1S/C6H7N3O2.ClH/c7-8-5-2-1-3-6(4-5)9(10)11;/h1-4,8H,7H2;1H/i1+1,2+1,3+1,4+1,5+1,6+1; |
| InChI Key | BKOYKMLGFFASBG-BVNCJLROSA-N |
| MDL Number | MFCD00672748 |
| Molecular Formula | C6H8ClN3O2 |
| Molecular Weight | 195.5555 |
| SMILES | NN[13C]1=[13CH][13CH]=[13CH][13C]([N+]([O-])=O)=[13CH]1.Cl |
| Synonyms | (3-nitrophenyl-1,2,3,4,5,6-13C6)hydrazine,monohydrochloride,
1977535-33-3,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 6 |
| Molecular Weight | 195.553g/mol |
| Monoisotopic Mass | 195.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 83.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number