| CAS Number | 1221177-84-9 |
| Catalog Number | AG00HGML |
| Chemical Name | 4,6-Dichloro-9H-pyrimido[4,5-B]indole |
| IUPAC Name | 4,6-dichloro-9H-pyrimido[4,5-b]indole |
| InChI | InChI=1S/C10H5Cl2N3/c11-5-1-2-7-6(3-5)8-9(12)13-4-14-10(8)15-7/h1-4H,(H,13,14,15) |
| InChI Key | DVHDVRMZBIAUIN-UHFFFAOYSA-N |
| MDL Number | MFCD22690456 |
| Molecular Formula | C10H5Cl2N3 |
| Molecular Weight | 238.0728 |
| SMILES | ClC1=CC=C2NC3=C(C2=C1)C(Cl)=NC=N3 |
| Synonyms | 4,6-DICHLORO-9H-PYRIMIDO[4,5-B]INDOLE,
1221177-84-9,
9H-Pyrimido[4,5-b]indole,4,6-dichloro-,
SCHEMBL6881920,
MFCD22690456,
ZINC91692761,
AS-39179,
9H-Pyrimido[4,5-b]indole, 4,6-dichloro-,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.071g/mol |
| Monoisotopic Mass | 236.986g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number