| CAS Number | 1443981-83-6 |
| Catalog Number | AG00HX2P(AGN-PC-0WG416) |
| Chemical Name | 4,4-Difluoro-1,2,3,4-Tetrahydroisoquinoline-1,3-Dione |
| IUPAC Name | 4,4-difluoroisoquinoline-1,3-dione |
| InChI | InChI=1S/C9H5F2NO2/c10-9(11)6-4-2-1-3-5(6)7(13)12-8(9)14/h1-4H,(H,12,13,14) |
| InChI Key | CNHMPGXYLZDVCT-UHFFFAOYSA-N |
| MDL Number | MFCD24842768 |
| Molecular Formula | C9H5F2NO2 |
| Molecular Weight | 197.1383 |
| SMILES | FC1(C2=C(C=CC=C2)C(=O)NC1=O)F |
| Synonyms | 1443981-83-6,
4,4-difluoro-1,2,3,4-tetrahydroisoquinoline-1,3-dione,
4,4-Difluoroisoquinoline-1,3(2H,4H)-dione,
MFCD24842768,
ZINC95347536,
AKOS027255689,
NE33263,
AK207421,
Z2048188838,
4,4-difluoroisoquinoline-1,3-dione,
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| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.141g/mol |
| Monoisotopic Mass | 197.029g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number