| CAS Number | 497147-90-7 |
| Catalog Number | AG019EZE(AGN-PC-0HAZOO) |
| Chemical Name | 4,5-Diamino-2-chlorobenzonitrile |
| IUPAC Name | 4,5-diamino-2-chlorobenzonitrile |
| InChI | InChI=1S/C7H6ClN3/c8-5-2-7(11)6(10)1-4(5)3-9/h1-2H,10-11H2 |
| InChI Key | UWSZKJXTQGXNCK-UHFFFAOYSA-N |
| MDL Number | MFCD20719621 |
| Molecular Formula | C7H6ClN3 |
| Molecular Weight | 167.5956 |
| SMILES | N#CC1=CC(N)=C(N)C=C1Cl |
| Synonyms | 4,5-Diamino-2-chlorobenzonitrile,
497147-90-7,
2-Chloro-4,5-diaminobenzonitrile,
SCHEMBL1291792,
4,5-Diamino-2-chloro-benzonitrile,
MFCD20719621,
Benzonitrile, 4,5-diamino-2-chloro-,
CS-0060109,
4,5-Diamino-2-chlorobenzonitrile Dihydrochloride,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.596g/mol |
| Monoisotopic Mass | 167.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number