514856-13-4
3-BROMO-4,5-DIETHOXY-BENZONITRILE
Name
3-BROMO-4,5-DIETHOXY-BENZONITRILE
Formula
C11 H12 Br N O2
MolWeight
270.125
1Identification
【Name】
3-BROMO-4,5-DIETHOXY-BENZONITRILE
【CAS】
【MDL】
MFCD02256587
【English Synonyms】
【Formula】
C11 H12 Br N O2
【MolWeight】
270.125
【Inchi】
InChI=1S/C11H12BrNO2/c1-3-14-10-6-8(7-13)5-9(12)11(10)15-4-2/h5-6H,3-4H2,1-2H3
【InChIKey】
InChIKey=DPLJNTWBXCKJOL-UHFFFAOYSA-N
【SMILES】
CCOc1cc(cc(c1OCC)Br)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
ALFA AESAR, AVOCADO, LANCASTER :3-BROMO-4,5-DIETHOXY-BENZONITRILE
4CML File
3-BROMO-4,5-DIETHOXY-BENZONITRILE.cml
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