Ethyl 3-amino-7-bromoquinoline-2-carboxylate - CAS 1260807-99-5
Catalog: |
BB065904 |
Product Name: |
Ethyl 3-amino-7-bromoquinoline-2-carboxylate |
CAS: |
1260807-99-5 |
Synonyms: |
Ethyl 3-amino-7-bromoquinoline-2-carboxylate; Ethyl3-amino-7-bromoquinoline-2-carboxylate |
IUPAC Name: | ethyl 3-amino-7-bromoquinoline-2-carboxylate |
Description: | Ethyl 3-amino-7-bromoquinoline-2-carboxylate |
Molecular Weight: | 295.13 |
Molecular Formula: | C12H11BrN2O2 |
Canonical SMILES: | CCOC(=O)C1=C(C=C2C=CC(=CC2=N1)Br)N |
InChI: | InChI=1S/C12H11BrN2O2/c1-2-17-12(16)11-9(14)5-7-3-4-8(13)6-10(7)15-11/h3-6H,2,14H2,1H3 |
InChI Key: | UHKVUBKBFDPSDM-UHFFFAOYSA-N |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.00039 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.00039 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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