| CAS Number | 68420-26-8 |
| Catalog Number | AG003D0T(AGN-PC-0WG3JS) |
| Chemical Name | 1-(4-Nitrophenyl)-3-methyl-5-phenylformazan |
| IUPAC Name | N'-anilino-N-(4-nitrophenyl)iminoethanimidamide |
| InChI | InChI=1S/C14H13N5O2/c1-11(15-17-12-5-3-2-4-6-12)16-18-13-7-9-14(10-8-13)19(20)21/h2-10,17H,1H3/b15-11+,18-16? |
| InChI Key | FHIGZTOTTOEVNT-DNTUAUKYSA-N |
| MDL Number | MFCD00059829 |
| Molecular Formula | C14H13N5O2 |
| Molecular Weight | 283.2853 |
| NSC Number | 156537 |
| SMILES | CC(=NNc1ccccc1)/N=N/c1ccc(cc1)N(=O)=O |
| Synonyms | 1-(4-Nitrophenyl)-3-methyl-5-phenylformazan,
68420-26-8,
NSC156537,
3-Methyl-1-(4-nitrophenyl)-5-phenylformazan,
AC1NXXRI,
SCHEMBL7510344,
SCHEMBL7510356,
MFCD00059829,
ZINC16979404,
AKOS015833483,
ZINC100022323,
NSC-156537,
TR-022872,
B0312,
5-Phenyl-1-(4-nitrophenyl)-3-methylformazan,
C-44582,
CID5819184,
1- -3-METHYL-5-PHENYLFORMAZAN,
N'-anilino-N-(4-nitrophenyl)iminoethanimidamide,
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| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 283.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.291g/mol |
| Monoisotopic Mass | 283.107g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number