5-Bromo-1H-indole-3-butanoic acid
CAS Registry Number®
13993-31-2
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CAS Name
5-Bromo-1H-indole-3-butanoic acidMolecular Formula
C12H12BrNO2Molecular Mass
282.13Cite this Page
5-Bromo-1H-indole-3-butanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=13993-31-2 (retrieved ) (CAS RN: 13993-31-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
143 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C12H12BrNO2/c13-9-4-5-11-10(6-9)8(7-14-11)2-1-3-12(15)16/h4-7,14H,1-3H2,(H,15,16)
InChIKey
InChIKey=JXXIGLYAOIPPCH-UHFFFAOYSA-N
SMILES
C(CCC(O)=O)C=1C=2C(NC1)=CC=C(Br)C2
Canonical SMILES
O=C(O)CCCC1=CNC=2C=CC(Br)=CC21
Other Names for this Substance
- 1H-Indole-3-butanoic acid, 5-bromo-
- Indole-3-butyric acid, 5-bromo-
- 5-Bromo-1H-indole-3-butanoic acid
