| CAS Number | 1638760-75-4 |
| Catalog Number | AG00HYY8(AGN-PC-0WD7PN) |
| Chemical Name | Methyl 2,4-Dichloro-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carboxylate |
| IUPAC Name | methyl 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate |
| InChI | InChI=1S/C8H5Cl2N3O2/c1-15-7(14)3-2-11-6-4(3)5(9)12-8(10)13-6/h2H,1H3,(H,11,12,13) |
| InChI Key | FICZFQMKBMQCQT-UHFFFAOYSA-N |
| MDL Number | MFCD27987439 |
| Molecular Formula | C8H5Cl2N3O2 |
| Molecular Weight | 246.0502 |
| SMILES | ClC=1N=C(C2=C(N1)NC=C2C(=O)OC)Cl |
| Synonyms | 1638760-75-4,
methyl 2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate,
2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester,
methyl2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate,
MFCD27987439,
AKOS027252315,
ZINC238336718,
SB14144,
AS-52126,
CS-0049190,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.047g/mol |
| Monoisotopic Mass | 244.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number