| CAS Number | 1404367-63-0 |
| Catalog Number | AG00HVVC(AGN-PC-0WQXPH) |
| Chemical Name | 6-Bromo-5-chloro-3,4-dihydroquinolin-2(1H)-one |
| IUPAC Name | 6-bromo-5-chloro-3,4-dihydro-1H-quinolin-2-one |
| InChI | InChI=1S/C9H7BrClNO/c10-6-2-3-7-5(9(6)11)1-4-8(13)12-7/h2-3H,1,4H2,(H,12,13) |
| InChI Key | WXTGQHCUOMLSQB-UHFFFAOYSA-N |
| MDL Number | MFCD22690402 |
| Molecular Formula | C9H7BrClNO |
| Molecular Weight | 260.5150 |
| SMILES | ClC1=C2C(NC(CC2)=O)=CC=C1Br |
| Synonyms | 6-BROMO-5-CHLORO-3,4-DIHYDROQUINOLIN-2(1H)-ONE,
1404367-63-0,
SCHEMBL13730115,
WXTGQHCUOMLSQB-UHFFFAOYSA-N,
MFCD22690402,
AKOS027251840,
FT-0736609,
6-Bromo-5-chloro-3,4-dihydroquinolin-2(1H)-one, 95%,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.515g/mol |
| Monoisotopic Mass | 258.94g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number