857064-38-1
WP1066
Name
WP1066
Formula
C17 H14 Br N3 O
MolWeight
356.222
1Identification
【Name】
WP1066
【CAS】
【MDL】
MFCD12912450
【English Synonyms】
【Formula】
C17 H14 Br N3 O
【MolWeight】
356.222
【Inchi】
InChI=1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1
【InChIKey】
InChIKey=VFUAJMPDXIRPKO-LQELWAHVSA-N
【SMILES】
C[C@@H](c1ccccc1)NC(=O)/C(=C/c2cccc(n2)Br)/C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
WP1066.cml
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