| CAS Number | 948294-42-6 |
| Catalog Number | AG00IIKV |
| Chemical Name | 6,7-Dichloroquinoline-3-carboxylic acid |
| IUPAC Name | 6,7-dichloroquinoline-3-carboxylic acid |
| InChI | InChI=1S/C10H5Cl2NO2/c11-7-2-5-1-6(10(14)15)4-13-9(5)3-8(7)12/h1-4H,(H,14,15) |
| InChI Key | QVIQAMKOZUQRKA-UHFFFAOYSA-N |
| MDL Number | MFCD09787797 |
| Molecular Formula | C10H5Cl2NO2 |
| Molecular Weight | 242.0582 |
| SMILES | OC(=O)c1cnc2c(c1)cc(c(c2)Cl)Cl |
| Synonyms | 6,7-Dichloroquinoline-3-carboxylic acid,
948294-42-6,
SCHEMBL18988127,
CTK8E5304,
DTXSID30589116,
MFCD09787797,
ZINC32099525,
AB52263,
OR307995,
DB-080103,
RT-010460,
FT-0727944,
T6829,
6,7-DICHLOROQUINOLINE-3-CARBOXYLICACID,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.055g/mol |
| Monoisotopic Mass | 240.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number