| CAS Number | 1004992-44-2 |
| Catalog Number | AG00024N(AGN-PC-0GXCX9) |
| Chemical Name | 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-ethyl- |
| IUPAC Name | 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine |
| InChI | InChI=1S/C8H8ClN3/c1-2-5-3-10-8-6(5)7(9)11-4-12-8/h3-4H,2H2,1H3,(H,10,11,12) |
| InChI Key | HXTUOLGGMWNTJZ-UHFFFAOYSA-N |
| MDL Number | MFCD18375135 |
| Molecular Formula | C8H8ClN3 |
| Molecular Weight | 181.6222 |
| SMILES | CCC1=CNC2=NC=NC(Cl)=C21 |
| Synonyms | 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine,
1004992-44-2,
SCHEMBL4780230,
DTXSID20735120,
HXTUOLGGMWNTJZ-UHFFFAOYSA-N,
0212AA,
QC-833,
ZINC72233253,
AKOS015954692,
FCH1177040,
AJ-120841,
AX8244269,
FT-0686251,
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-ethyl-,
C8H8ClN3,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.623g/mol |
| Monoisotopic Mass | 181.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number