| CAS Number | 21902-39-6 |
| Catalog Number | AG019GC8 |
| Chemical Name | 1,3-dichloro-8-methylisoquinoline |
| IUPAC Name | 1,3-dichloro-8-methylisoquinoline |
| InChI | InChI=1S/C10H7Cl2N/c1-6-3-2-4-7-5-8(11)13-10(12)9(6)7/h2-5H,1H3 |
| InChI Key | MGIFECXLGIWHEE-UHFFFAOYSA-N |
| MDL Number | MFCD19688169 |
| Molecular Formula | C10H7Cl2N |
| Molecular Weight | 212.0753 |
| SMILES | CC1=C2C(C=C(N=C2Cl)Cl)=CC=C1 |
| Synonyms | 1,3-dichloro-8-methylisoquinoline,
21902-39-6,
1,3-Dichloro-8-methyl-isoquinoline,
ZINC95644166,
AKOS030631699,
ACN-043882,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.073g/mol |
| Monoisotopic Mass | 210.996g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
Lot Number