| CAS Number | 173458-87-2 |
| Catalog Number | AG019ETI(AGN-PC-0O4WRP) |
| Chemical Name | 4-CHloro-6,7,8,9-Tetrahydro-5H-Pyrimido[4,5-B]Indole |
| IUPAC Name | 4-chloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole |
| InChI | InChI=1S/C10H10ClN3/c11-9-8-6-3-1-2-4-7(6)14-10(8)13-5-12-9/h5H,1-4H2,(H,12,13,14) |
| InChI Key | SFKNMBDVWLKVID-UHFFFAOYSA-N |
| MDL Number | MFCD24562624 |
| Molecular Formula | C10H10ClN3 |
| Molecular Weight | 207.6595 |
| SMILES | ClC1=NC=NC=2NC=3CCCCC3C21 |
| Synonyms | 4-chloro-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indole,
173458-87-2,
5H-Pyrimido[4,5-b]indole, 4-chloro-6,7,8,9-tetrahydro-,
SCHEMBL2800733,
SFKNMBDVWLKVID-UHFFFAOYSA-N,
CS-0035703,
CID10655953,
CID 10655953,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.056325g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.66g/mol |
| Monoisotopic Mass | 207.056325g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number