| CAS Number | 1185099-31-3 |
| Catalog Number | AG00HEL2(AGN-PC-0WQZVK) |
| Chemical Name | 1-(Chloromethyl)-7-fluoro-3,4-dihydroisoquinoline, HCl |
| IUPAC Name | 1-(chloromethyl)-7-fluoro-3,4-dihydroisoquinoline;hydrochloride |
| InChI | InChI=1S/C10H9ClFN.ClH/c11-6-10-9-5-8(12)2-1-7(9)3-4-13-10;/h1-2,5H,3-4,6H2;1H |
| InChI Key | GBKVMQIWPWPWNC-UHFFFAOYSA-N |
| MDL Number | MFCD11040509 |
| Molecular Formula | C10H10Cl2FN |
| Molecular Weight | 234.0975 |
| SMILES | Cl.FC1=CC=C2CCN=C(CCl)C2=C1 |
| Synonyms | 1185099-31-3,
1-(CHLOROMETHYL)-7-FLUORO-3,4-DIHYDROISOQUINOLINE HCL,
1-(CHLOROMETHYL)-7-FLUORO-3,4-DIHYDROISOQUINOLINE HYDROCHLORIDE,
CTK7B8329,
AR3740,
MFCD11040509,
AS-45679,
1-(Chloromethyl)-7-fluoro-3,4-dihydroisoquinoline, HCl,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.095g/mol |
| Monoisotopic Mass | 233.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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