| CAS Number | 1820705-93-8 |
| Catalog Number | AG00I0XP |
| Chemical Name | 5-Chloro-N,N-dimethyl-3-nitropyridin-2-amine |
| IUPAC Name | 5-chloro-N,N-dimethyl-3-nitropyridin-2-amine |
| InChI | InChI=1S/C7H8ClN3O2/c1-10(2)7-6(11(12)13)3-5(8)4-9-7/h3-4H,1-2H3 |
| InChI Key | ZVOKEOADEACZOZ-UHFFFAOYSA-N |
| MDL Number | MFCD26383423 |
| Molecular Formula | C7H8ClN3O2 |
| Molecular Weight | 201.6103 |
| SMILES | CN(c1ncc(cc1[N+](=O)[O-])Cl)C |
| Synonyms | 5-Chloro-N,N-dimethyl-3-nitropyridin-2-amine,
1820705-93-8,
ZINC95496009,
AKOS027347258,
Y2831,
C7H8ClN3O2,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.61g/mol |
| Monoisotopic Mass | 201.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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