NETCHEM 432676

pro_cas
pro_cdbregno
CCD07443431
pro_formula
C9 H13 Br N2 O
pro_molWeight
245.119

basic_info

Product_Name: NETCHEM 432676
EnglishSynonyms: NETCHEM 432676
pro_mdlNumber: MFCD22516742
pro_acceptors: 3
pro_donors: 2
pro_smile: COc1cc(cc(c1)Br)[C@H](CN)N
InChi: InChI=1S/C9H13BrN2O/c1-13-8-3-6(9(12)5-11)2-7(10)4-8/h2-4,9H,5,11-12H2,1H3/t9-/m0/s1
InChiKey: InChIKey=AKDYOFCPDZIMHM-VIFPVBQESA-N

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