UNJ
Summary
Name: | 5-bromo-1-benzofuran-2-carboxylic acid |
Formula: | C9 H5 Br O3 |
Formal charge: | 0 |
Formula weight: | 241.038 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 5-bromo-1-benzofuran-2-carboxylic acid |
OpenEye OEToolkits | 1.7.0 | 5-bromo-1-benzofuran-2-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c2oc1ccc(Br)cc1c2 |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1oc2ccc(Br)cc2c1 |
SMILES | CACTVS | 3.370 | OC(=O)c1oc2ccc(Br)cc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Br)cc(o2)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Br)cc(o2)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C9H5BrO3/c10-6-1-2-7-5(3-6)4-8(13-7)9(11)12/h1-4H,(H,11,12) |
InChIKey | InChI | 1.03 | QKUWZCOVKRUXKX-UHFFFAOYSA-N |