| CAS Number | 940054-45-5 |
| Catalog Number | AG00IHX3(AGN-PC-0WBQ22) |
| Chemical Name | 4-chloro-6-fluoro-2,3-dihydro-1H-indole-2,3-dione |
| IUPAC Name | 4-chloro-6-fluoro-1H-indole-2,3-dione |
| InChI | InChI=1S/C8H3ClFNO2/c9-4-1-3(10)2-5-6(4)7(12)8(13)11-5/h1-2H,(H,11,12,13) |
| InChI Key | VXDPVOKLIGCRAN-UHFFFAOYSA-N |
| MDL Number | MFCD20485537 |
| Molecular Formula | C8H3ClFNO2 |
| Molecular Weight | 199.5663 |
| SMILES | ClC1=C2C(C(NC2=CC(=C1)F)=O)=O |
| Synonyms | 940054-45-5,
4-chloro-6-fluoroindoline-2,3-dione,
4-chloro-6-fluoro-1H-indole-2,3-dione,
4-chloro-6-fluoro-2,3-dihydro-1H-indole-2,3-dione,
SCHEMBL1398043,
DTXSID40736215,
MFCD20485537,
ZINC75172955,
AKOS024627756,
MCULE-6100552392,
AK340568,
AS-54689,
L-5346,
F2147-1128,
Z1945984096,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.565g/mol |
| Monoisotopic Mass | 198.984g/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 |
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Certificate of Analysis
Lot Number