4-Bromo-7-ethoxy-6-methoxy-1h-indole-2-carboxylic acid - CAS 881041-58-3
Catalog: |
BB071457 |
Product Name: |
4-Bromo-7-ethoxy-6-methoxy-1h-indole-2-carboxylic acid |
CAS: |
881041-58-3 |
Synonyms: |
4-bromo-7-ethoxy-6-methoxy-1H-indole-2-carboxylic Acid |
IUPAC Name: | 4-bromo-7-ethoxy-6-methoxy-1H-indole-2-carboxylic acid |
Description: | 4-Bromo-7-ethoxy-6-methoxy-1h-indole-2-carboxylic acid |
Molecular Weight: | 314.13 |
Molecular Formula: | C12H12BrNO4 |
Canonical SMILES: | CCOC1=C2C(=C(C=C1OC)Br)C=C(N2)C(=O)O |
InChI: | InChI=1S/C12H12BrNO4/c1-3-18-11-9(17-2)5-7(13)6-4-8(12(15)16)14-10(6)11/h4-5,14H,3H2,1-2H3,(H,15,16) |
InChI Key: | IOTCPFDSZUYCOT-UHFFFAOYSA-N |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.99497 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.99497 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 71.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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