| CAS Number | 172455-36-6 |
| Catalog Number | AG00ADB0 |
| Chemical Name | 5-Chloro-4-cyano-2-nitroaniline |
| IUPAC Name | 4-amino-2-chloro-5-nitrobenzonitrile |
| InChI | InChI=1S/C7H4ClN3O2/c8-5-2-6(10)7(11(12)13)1-4(5)3-9/h1-2H,10H2 |
| InChI Key | QDNOBTKJPANVQD-UHFFFAOYSA-N |
| MDL Number | MFCD26401904 |
| Molecular Formula | C7H4ClN3O2 |
| Molecular Weight | 197.5786 |
| SMILES | NC1=CC(=C(C#N)C=C1[N+](=O)[O-])Cl |
| Synonyms | 4-amino-2-chloro-5-nitrobenzonitrile,
172455-36-6,
4-amino-2-chloro-5-nitro-benzonitrile,
SCHEMBL1192365,
5-Chloro-4-cyano-2-nitroaniline,
MFCD26401904,
AKOS027427552,
Benzonitrile, 4-amino-2-chloro-5-nitro-,
CS-0060107,
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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