CAS Registry Number: 114165-30-9

Name:

Ethanone, 1-​(5-​bromo-​3-​hydroxy-​1H-​indol-​1-​yl)​-
1H-​Indol-​3-​ol, 1-​acetyl-​5-​bromo- (9CI); Indoxyl, 1-​acetyl-​5-​bromo- (6CI); 1-​(5-​Bromo-​3-​hydroxyindol-​1-​yl)​ethanone; 1-​Acetyl-​5-​bromoindoxyl-​3-​ol 

Chemical Formula: C10H8BrNO2
Exact Mass: 252.97
Molecular Weight: 254.08
m/z: 252.97 (100.0%), 254.97 (97.3%), 253.98 (11.0%), 255.98 (10.7%)
Elemental Analysis: C, 47.27; H, 3.17; Br, 31.45; N, 5.51; O, 12.59

InChI: InChI=1S/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-5,14H,1H3
InChIKey: WOLVOYIZHIXSSE-UHFFFAOYSA-N
Canonical SMILES : CC(=O)N1C=C(C2=C1C=CC(=C2)Br)O

Specification

98%

1. (1) Holt, S. J.; Journal of the Chemical Society 1947, P607-11 CAPLUS
2. (2) Su, Helen C. F.; Journal of the American Chemical Society 1960, V82, P1187-9 CAPLUS