| CAS Number | 218961-90-1 |
| Catalog Number | AG019ZN3 |
| Chemical Name | 3-Amino-4-chloro-5-nitrobenzonitrile |
| IUPAC Name | 3-amino-4-chloro-5-nitrobenzonitrile |
| InChI | InChI=1S/C7H4ClN3O2/c8-7-5(10)1-4(3-9)2-6(7)11(12)13/h1-2H,10H2 |
| InChI Key | MWRBMMCSBARGIB-UHFFFAOYSA-N |
| MDL Number | MFCD22421765 |
| Molecular Formula | C7H4ClN3O2 |
| Molecular Weight | 197.5786 |
| SMILES | NC1=C(Cl)C([N+]([O-])=O)=CC(C#N)=C1 |
| Synonyms | 3-amino-4-chloro-5-nitrobenzonitrile,
218961-90-1,
SCHEMBL15413658,
MWRBMMCSBARGIB-UHFFFAOYSA-N,
ZINC82162645,
AKOS019025424,
FCH4634458,
NE48032,
BBV-44992442,
EN300-106508,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.578g/mol |
| Monoisotopic Mass | 196.999g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 95.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number