| CAS Number | 1341035-81-1 |
| Catalog Number | AG00HT6L(AGN-PC-0WG4SK) |
| Chemical Name | 5-Bromo-1,2,3,4-Tetrahydro-1,8-Naphthyridine |
| IUPAC Name | 5-bromo-1,2,3,4-tetrahydro-1,8-naphthyridine |
| InChI | InChI=1S/C8H9BrN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h3,5H,1-2,4H2,(H,10,11) |
| InChI Key | CYTUKWQXFDIKLS-UHFFFAOYSA-N |
| MDL Number | MFCD20526680 |
| Molecular Formula | C8H9BrN2 |
| Molecular Weight | 213.0745 |
| SMILES | BrC1=C2CCCNC2=NC=C1 |
| Synonyms | 5-BROMO-1,2,3,4-TETRAHYDRO-1,8-NAPHTHYRIDINE,
1341035-81-1,
MFCD20526680,
ZINC95764035,
AB76469,
CS-0038086,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.078g/mol |
| Monoisotopic Mass | 211.995g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number