CAS Registry Number: 65193-10-4

Name:

9H-​Xanthen-​9-​one, 2-​bromo-​7-​methoxy-
2-​Bromo-​7-​methoxy-​9H-​xanthen-​9-​one; 2-​Bromo-​7-​methoxyxanthone 

Chemical Formula: C14H9BrO3
Exact Mass: 303.97
Molecular Weight: 305.12
m/z: 303.97 (100.0%), 305.97 (97.3%), 304.98 (15.4%), 306.97 (14.7%), 305.98 (1.7%), 307.98 (1.7%)

InChI: InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(16(18)19-2)13(10-12)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13?,14?,15+/m1/s1
InChIKey: OMBOXYLBBHNWHL-URGYJCLVSA-N
Canonical SMILES : CN1C2CCC1C(C(C2)C3=CC=CC=C3)C(=O)OC
Isomeric SMILES: CN1[C@@H]2CCC1[C@H](C(C2)C3=CC=CC=C3)C(=O)OC

Specification

98%

PCT Int. Appl. (2014), WO 2014078314 A1 20140522.                                 

PCT Int. Appl. (2013), WO 2013044092 A1 20130328.