Obsolete: 0A5
Summary
Name: | 4-bromobutanoic acid |
Formula: | C4 H7 Br O2 |
Formal charge: | 0 |
Formula weight: | 167.001 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.6.1 | 4-bromobutanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | OC(=O)CCCBr |
SMILES | CACTVS | 3.352 | OC(=O)CCCBr |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C(CC(=O)O)CBr |
SMILES | OpenEye OEToolkits | 1.6.1 | C(CC(=O)O)CBr |
InChI | InChI | 1.03 | InChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7) |
InChIKey | InChI | 1.03 | GRHQDJDRGZFIPO-UHFFFAOYSA-N |