| CAS Number | 93944-92-4 |
| Catalog Number | AG006AP9(AGN-PC-0JCKBG) |
| Chemical Name | 2-[3-(Chloromethyl)phenyl]isoindole-1,3-dione |
| IUPAC Name | 2-[3-(chloromethyl)phenyl]isoindole-1,3-dione |
| InChI | InChI=1S/C15H10ClNO2/c16-9-10-4-3-5-11(8-10)17-14(18)12-6-1-2-7-13(12)15(17)19/h1-8H,9H2 |
| InChI Key | GMKRACRRSYWVKR-UHFFFAOYSA-N |
| MDL Number | MFCD28122691 |
| Molecular Formula | C15H10ClNO2 |
| Molecular Weight | 271.6984 |
| SMILES | ClCc1cccc(c1)N1C(=O)c2c(C1=O)cccc2 |
| Synonyms | 93944-92-4,
2-[3-(chloromethyl)phenyl]isoindole-1,3-dione,
1H-Isoindole-1,3(2H)-dione, 2-[3-(chloromethyl)phenyl]-,
2-(3-(Chloromethyl)phenyl)isoindoline-1,3-dione,
ACMC-20ly87,
CTK3F5438,
DTXSID90758907,
ZINC207544761,
2-[3-(Chloromethyl)phenyl]-1H-isoindole-1,3(2H)-dione,
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| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.7g/mol |
| Monoisotopic Mass | 271.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-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