| CAS Number | 3432-58-4 |
| Catalog Number | AG007G6L(AGN-PC-07AB9I) |
| Chemical Name | Isoindoline-2-carbonyl chloride |
| IUPAC Name | 1,3-dihydroisoindole-2-carbonyl chloride |
| InChI | InChI=1S/C9H8ClNO/c10-9(12)11-5-7-3-1-2-4-8(7)6-11/h1-4H,5-6H2 |
| InChI Key | ULBYXUAYQUKEEA-UHFFFAOYSA-N |
| MDL Number | MFCD13174032 |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.6189 |
| SMILES | C1N(CC2=CC=CC=C12)C(=O)Cl |
| Synonyms | 3432-58-4,
2-ISOINDOLINECARBONYL CHLORIDE,
Isoindoline-2-carbonyl chloride,
2H-Isoindole-2-carbonylchloride, 1,3-dihydro-,
SCHEMBL330006,
CTK1C1074,
DTXSID70664673,
ULBYXUAYQUKEEA-UHFFFAOYSA-N,
ZINC39056652,
AKOS017516077,
1,3-Dihydro-isoindole-2-carbonyl chloride,
FT-0724343,
1,3-Dihydro-2H-isoindole-2-carbonyl chloride,
2-Isoindolinecarbonyl chloride (7CI,8CI),
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.619g/mol |
| Monoisotopic Mass | 181.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number