| CAS Number | 552330-93-5 |
| Catalog Number | AG00DK5M(AGN-PC-03R5RX) |
| Chemical Name | 4-Quinolinecarboxylic acid, 6-bromo-3-hydroxy- |
| IUPAC Name | 6-bromo-3-hydroxyquinoline-4-carboxylic acid |
| InChI | InChI=1S/C10H6BrNO3/c11-5-1-2-7-6(3-5)9(10(14)15)8(13)4-12-7/h1-4,13H,(H,14,15) |
| InChI Key | PHFJIUZKWPELKO-UHFFFAOYSA-N |
| MDL Number | MFCD10703486 |
| Molecular Formula | C10H6BrNO3 |
| Molecular Weight | 268.0635 |
| SMILES | C(=O)(O)c1c2c(ncc1O)ccc(c2)Br |
| Synonyms | 6-BROMO-3-HYDROXYQUINOLINE-4-CARBOXYLIC ACID,
552330-93-5,
SCHEMBL6833528,
CTK5A3255,
DTXSID90626854,
PHFJIUZKWPELKO-UHFFFAOYSA-N,
ZINC32099831,
AKOS015052381,
AJ-84702,
DB-024523,
FT-0698580,
6-Bromo-3-hydroxy-quinoline-4-carboxylic acid,
ACN-038875,
6-BROMO-3-HYDROXYQUINOLINE-4-CARBOXYLICACID,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.066g/mol |
| Monoisotopic Mass | 266.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number