561305-83-7
2-THIOPHENEPROPANENITRILE, A-(4-BROMOPHENYL)-B-OXO-
Name
2-THIOPHENEPROPANENITRILE, A-(4-BROMOPHENYL)-B-OXO-
Formula
C13 H8 Br N O S
MolWeight
306.182
1Identification
【Name】
2-THIOPHENEPROPANENITRILE, A-(4-BROMOPHENYL)-B-OXO-
【CAS】
【MDL】
MFCD20265840
【English Synonyms】
【Formula】
C13 H8 Br N O S
【MolWeight】
306.182
【Inchi】
InChI=1S/C13H8BrNOS/c14-10-5-3-9(4-6-10)13(11(16)8-15)12-2-1-7-17-12/h1-7,13H
【InChIKey】
InChIKey=UQAAVIOJOYNRKD-UHFFFAOYSA-N
【SMILES】
c1cc(sc1)C(c2ccc(cc2)Br)C(=O)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-THIOPHENEPROPANENITRILE, A-(4-BROMOPHENYL)-B-OXO-.cml
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