| CAS Number | 893723-53-0 |
| Catalog Number | AG01FMND(AGN-PC-0WOJZQ) |
| Chemical Name | 3-bromo-1,8-naphthyridine-2-carboxylic acid |
| IUPAC Name | 3-bromo-1,8-naphthyridine-2-carboxylic acid |
| InChI | InChI=1S/C9H5BrN2O2/c10-6-4-5-2-1-3-11-8(5)12-7(6)9(13)14/h1-4H,(H,13,14) |
| InChI Key | FAYPMMVMEAKHFF-UHFFFAOYSA-N |
| MDL Number | MFCD06254347 |
| Molecular Formula | C9H5BrN2O2 |
| Molecular Weight | 253.0522 |
| SMILES | OC(=O)c1nc2ncccc2cc1Br |
| Synonyms | 3-bromo-1,8-naphthyridine-2-carboxylic Acid,
893723-53-0,
3-Bromo-[1,8]naphthyridine-2-carboxylic acid,
AC1NHG08,
ZINC8435699,
AKOS002665714,
F1957-0335,
CID4739498,
N/A,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.055g/mol |
| Monoisotopic Mass | 251.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number