| CAS Number | 1367868-00-5 |
| Catalog Number | AG00HUOW(AGN-PC-0WCKOS) |
| Chemical Name | 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde |
| IUPAC Name | 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde |
| InChI | InChI=1S/C7H4ClN3O/c8-7-10-2-5-4(3-12)1-9-6(5)11-7/h1-3H,(H,9,10,11) |
| InChI Key | YCDSHMBDFBSDIU-UHFFFAOYSA-N |
| MDL Number | MFCD22064589 |
| Molecular Formula | C7H4ClN3O |
| Molecular Weight | 181.5792 |
| SMILES | O=CC2=CNC1=NC(Cl)=NC=C12 |
| Synonyms | 1367868-00-5,
2-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde,
2-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde,
MFCD22064589,
ZINC82395564,
SB14083,
AK185010,
AS-51596,
CS-0051926,
W-2178,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.579g/mol |
| Monoisotopic Mass | 181.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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