| CAS Number | 7781-49-9 |
| Catalog Number | AG003R0G(AGN-PC-0JLHUN) |
| Chemical Name | INT Formazan , |
| EC Number | 231-950-6 |
| IUPAC Name | N'-(4-iodoanilino)-N-(4-nitrophenyl)iminobenzenecarboximidamide |
| InChI | InChI=1S/C19H14IN5O2/c20-15-6-8-16(9-7-15)21-23-19(14-4-2-1-3-5-14)24-22-17-10-12-18(13-11-17)25(26)27/h1-13,21H/b23-19-,24-22? |
| InChI Key | BWJJSYVJOLHQFF-AMLDTQNSSA-N |
| MDL Number | MFCD00007300 |
| Molecular Formula | C19H14IN5O2 |
| Molecular Weight | 471.2512 |
| SMILES | O=N(=O)C1=CC=C(C=C1)NN=C(N=NC2=CC=C(I)C=C2)C=3C=CC=CC3 |
| Synonyms | INT Formazan,
5-(4-Iodophenyl)-1-(4-nitrophenyl)-3-phenylformazan,
136196-46-8,
7781-49-9,
CCRIS 4149,
Iodonitrotetrazolium formazan,
Iodonitrotetrazolium violet-formazan,
1-(4-Iodophenyl)-5-(4-nitrophenyl)-3-phenylformazan,
AC1NY1H3,
SCHEMBL6471450,
AKOS015913357,
B0280,
1-(p-Nitrophenyl)-5-(p-iodophenyl)-3-phenylformazan,
INTFORMAZAN,
C19H14IN5O2,
EINECS 231-950-6,
C19-H14-I-N5-O2,
CID5798024,
1-(p-Iodophenyl)-5-(p-nitrophenyl)-3-phenylformazan,
N-(4-iodophenyl)imino-N'-(4-nitroanilino)benzenecarboximidamide,
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| Complexity | 529 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 471.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 471.258g/mol |
| Monoisotopic Mass | 471.019g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 94.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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