| CAS Number | 134716-82-8 |
| Catalog Number | AG009VWP(AGN-PC-0WHAA5) |
| Chemical Name | 4,6-Dichloro-5-nitropyrimidin-2-amine |
| IUPAC Name | 4,6-dichloro-5-nitropyrimidin-2-amine |
| InChI | InChI=1S/C4H2Cl2N4O2/c5-2-1(10(11)12)3(6)9-4(7)8-2/h(H2,7,8,9) |
| InChI Key | KIOZJDBYVRMAGM-UHFFFAOYSA-N |
| MDL Number | MFCD17169373 |
| Molecular Formula | C4H2Cl2N4O2 |
| Molecular Weight | 208.9903 |
| SMILES | NC1=NC(Cl)=C([N+]([O-])=O)C(Cl)=N1 |
| Synonyms | 4,6-Dichloro-5-nitropyrimidin-2-amine,
134716-82-8,
2-Amino-4,6-dichloro-5-nitropyrimidine,
SCHEMBL9871854,
MFCD17169373,
ZINC88189921,
AKOS015995517,
HP23901,
4,6-Dichloro-5-nitro-2-aminopyrimidine,
DB-023336,
FT-0746602,
S-7915,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.986g/mol |
| Monoisotopic Mass | 207.955g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 97.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number