| CAS Number | 162100-51-8 |
| Catalog Number | AG01DVS2(AGN-PC-022WQ0) |
| Chemical Name | 4,5-Dichloroindoline |
| IUPAC Name | 4,5-dichloro-2,3-dihydro-1H-indole |
| InChI | InChI=1S/C8H7Cl2N/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-2,11H,3-4H2 |
| InChI Key | KOKCBQMIPIZDIU-UHFFFAOYSA-N |
| MDL Number | MFCD20664101 |
| Molecular Formula | C8H7Cl2N |
| Molecular Weight | 188.0539 |
| SMILES | ClC1=C(Cl)C2=C(NCC2)C=C1 |
| Synonyms | 162100-51-8,
4,5-Dichloroindoline,
1H-Indole, 4,5-dichloro-2,3-dihydro-,
SCHEMBL8526899,
KOKCBQMIPIZDIU-UHFFFAOYSA-N,
AKOS024063900,
4,5-dichloro-2,3-dihydro-1capital EN, Cyrillic-indole,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.051g/mol |
| Monoisotopic Mass | 186.996g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number