| CAS Number | 1000577-48-9 |
| Catalog Number | AG0000QR(AGN-PC-0WCZ6C) |
| Chemical Name | 2-Amino-5-chloro-3-iodobenzonitrile |
| IUPAC Name | 2-amino-5-chloro-3-iodobenzonitrile |
| InChI | InChI=1S/C7H4ClIN2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2 |
| InChI Key | NPZRUCKIIXISQQ-UHFFFAOYSA-N |
| MDL Number | MFCD09800802 |
| Molecular Formula | C7H4ClIN2 |
| Molecular Weight | 278.4775 |
| SMILES | C1(C=C(Cl)C=C(I)C=1N)C#N |
| Synonyms | 2-Amino-5-chloro-3-iodobenzonitrile,
1000577-48-9,
SCHEMBL2432023,
NPZRUCKIIXISQQ-UHFFFAOYSA-N,
MFCD09800802,
ZINC15443815,
FCH1324019,
OR70215,
Benzonitrile, 2-amino-5-chloro-3-iodo-,
PS-11737,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.911g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.477g/mol |
| Monoisotopic Mass | 277.911g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number