| CAS Number | 1456531-72-8 |
| Catalog Number | AG00HXG4(AGN-PC-0WOA6R) |
| Chemical Name | 4-Amino-3-chloro-5-nitrobenzonitrile |
| IUPAC Name | 4-amino-3-chloro-5-nitrobenzonitrile |
| InChI | InChI=1S/C7H4ClN3O2/c8-5-1-4(3-9)2-6(7(5)10)11(12)13/h1-2H,10H2 |
| InChI Key | OKYSJENLFHYHHB-UHFFFAOYSA-N |
| MDL Number | MFCD25953942 |
| Molecular Formula | C7H4ClN3O2 |
| Molecular Weight | 197.5786 |
| SMILES | N#Cc1cc(Cl)c(c(c1)[N+](=O)[O-])N |
| Synonyms | 4-Amino-3-chloro-5-nitrobenzonitrile,
1456531-72-8,
SCHEMBL16387399,
KM5746,
ZINC95496143,
2-CHLORO-4-CYANO-6-NITROANILINE,
Y2697,
C7H4ClN3O2,
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| 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 | 2 |
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Certificate of Analysis
Lot Number