2-(3-Bromophenyl)-1h-indole-3-carboxylic acid - CAS 1098340-10-3
Catalog: |
BB071274 |
Product Name: |
2-(3-Bromophenyl)-1h-indole-3-carboxylic acid |
CAS: |
1098340-10-3 |
Synonyms: |
2-(3-bromophenyl)-1H-indole-3-carboxylic acid;2-(3-bromophenyl)-1H-indole-3-carboxylicacid |
IUPAC Name: | 2-(3-bromophenyl)-1H-indole-3-carboxylic acid |
Description: | 2-(3-Bromophenyl)-1h-indole-3-carboxylic acid |
Molecular Weight: | 316.14 |
Molecular Formula: | C15H10BrNO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=C(N2)C3=CC(=CC=C3)Br)C(=O)O |
InChI: | InChI=1S/C15H10BrNO2/c16-10-5-3-4-9(8-10)14-13(15(18)19)11-6-1-2-7-12(11)17-14/h1-8,17H,(H,18,19) |
InChI Key: | WGROSKJCWFTBRQ-UHFFFAOYSA-N |
Complexity: | 349 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 314.98949 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 314.98949 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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