| CAS Number | 91862-35-0 |
| Catalog Number | AG00IGX5(AGN-PC-0WAISD) |
| Chemical Name | 4-Chloro-6-methyl-5H-pyrrolo[3,2-d]pyrimidine |
| IUPAC Name | 4-chloro-6-methyl-5H-pyrrolo[3,2-d]pyrimidine |
| InChI | InChI=1S/C7H6ClN3/c1-4-2-5-6(11-4)7(8)10-3-9-5/h2-3,11H,1H3 |
| InChI Key | JFQVSNPLVXZAJP-UHFFFAOYSA-N |
| MDL Number | MFCD17013038 |
| Molecular Formula | C7H6ClN3 |
| Molecular Weight | 167.5956 |
| SMILES | ClC=1C2=C(N=CN1)C=C(N2)C |
| Synonyms | 4-chloro-6-methyl-5H-pyrrolo[3,2-d]pyrimidine,
91862-35-0,
SCHEMBL17329035,
DTXSID70744904,
MFCD17013038,
ZINC84236037,
AKOS016014984,
NE49694,
RL05789,
SB10447,
AS-48181,
AJ-126192,
4CH-005597,
5H-Pyrrolo[3,2-d]pyrimidine, 4-chloro-6-methyl-,
J-515115,
F8881-3648,
Z1982491245,
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| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.596g/mol |
| Monoisotopic Mass | 167.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number