Methyl 5-bromoquinoline-2-carboxylate - CAS 1355174-78-5
Catalog: |
BB075960 |
Product Name: |
Methyl 5-bromoquinoline-2-carboxylate |
CAS: |
1355174-78-5 |
Synonyms: |
Methyl 5-bromoquinoline-2-carboxylate; Methyl5-bromoquinoline-2-carboxylate |
IUPAC Name: | methyl 5-bromoquinoline-2-carboxylate |
Description: | Methyl 5-bromoquinoline-2-carboxylate |
Molecular Weight: | 266.09 |
Molecular Formula: | C11H8BrNO2 |
Canonical SMILES: | COC(=O)C1=NC2=C(C=C1)C(=CC=C2)Br |
InChI: | InChI=1S/C11H8BrNO2/c1-15-11(14)10-6-5-7-8(12)3-2-4-9(7)13-10/h2-6H,1H3 |
InChI Key: | CWPHCBOAHXYHJF-UHFFFAOYSA-N |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.97384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 39.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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