| CAS Number | 3993-80-4 |
| Catalog Number | AG00I7U3(AGN-PC-0WCKN8) |
| Chemical Name | 5-Iodo-4-chloropyrimidin-2-amine |
| IUPAC Name | 4-chloro-5-iodopyrimidin-2-amine |
| InChI | InChI=1S/C4H3ClIN3/c5-3-2(6)1-8-4(7)9-3/h1H,(H2,7,8,9) |
| InChI Key | KCXIFTFXSFQXPW-UHFFFAOYSA-N |
| MDL Number | MFCD20492490 |
| Molecular Formula | C4H3ClIN3 |
| Molecular Weight | 255.4442 |
| SMILES | NC1=NC=C(I)C(Cl)=N1 |
| Synonyms | 4-chloro-5-iodopyrimidin-2-amine,
3993-80-4,
5-Iodo-4-chloropyrimidin-2-amine,
SCHEMBL12556611,
KCXIFTFXSFQXPW-UHFFFAOYSA-N,
KS-000004IN,
MFCD20492490,
ZINC96304572,
4-chloro-5-iodo-pyrimidin-2-ylamine,
AKOS025403794,
FCH1417938,
SB11831,
AS-51489,
CS-0050912,
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| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.906g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.443g/mol |
| Monoisotopic Mass | 254.906g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number