| CAS Number | 1363382-83-5 |
| Catalog Number | AG00AAVN(AGN-PC-0WAAAE) |
| Chemical Name | 4-Chloro-6-iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine |
| IUPAC Name | 4-chloro-6-iodo-7-methylpyrrolo[2,3-d]pyrimidine |
| InChI | InChI=1S/C7H5ClIN3/c1-12-5(9)2-4-6(8)10-3-11-7(4)12/h2-3H,1H3 |
| InChI Key | WIXMDANEMIOPSA-UHFFFAOYSA-N |
| MDL Number | MFCD20926159 |
| Molecular Formula | C7H5ClIN3 |
| Molecular Weight | 293.4922 |
| SMILES | CN1C(I)=CC2=C(Cl)N=CN=C21 |
| Synonyms | 4-CHLORO-6-IODO-7-METHYL-7H-PYRROLO[2,3-D]PYRIMIDINE,
1363382-83-5,
SCHEMBL17148436,
MFCD20926159,
ZINC95629928,
AKOS025290052,
FCH1613654,
PB31187,
AS-34373,
OR317029,
ST1191206,
CS-0057298,
Q-2705,
4-Chloro-6-iodo-7-methylpyrrolo[2,3-d]pyrimidine,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.922g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.492g/mol |
| Monoisotopic Mass | 292.922g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number