| CAS Number | 1447606-44-1 |
| Catalog Number | AG001K45(AGN-PC-0JK1TN) |
| Chemical Name | 4-Fluoro-5-methoxyisoindoline hydrochloride |
| IUPAC Name | 4-fluoro-5-methoxy-2,3-dihydro-1H-isoindole;hydrochloride |
| InChI | InChI=1S/C9H10FNO.ClH/c1-12-8-3-2-6-4-11-5-7(6)9(8)10;/h2-3,11H,4-5H2,1H3;1H |
| InChI Key | CXUGKPAUJJAQEC-UHFFFAOYSA-N |
| MDL Number | MFCD25542148 |
| Molecular Formula | C9H11ClFNO |
| Molecular Weight | 203.6411 |
| SMILES | Cl[H].COC1=C(F)C2=C(CNC2)C=C1 |
| Synonyms | 4-Fluoro-5-methoxyisoindoline hydrochloride,
1447606-44-1,
4-FLUORO-5-METHOXYISOINDOLINE HCL,
KS-00000LBR,
MFCD25542148,
AK332612,
DS-12115,
X-3458,
1H-Isoindole, 4-fluoro-2,3-dihydro-5-methoxy-, hydrochloride (1:1),
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.641g/mol |
| Monoisotopic Mass | 203.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number