561305-84-8
2-THIOPHENEPROPANENITRILE, A-(2,4-DICHLOROPHENYL)-B-OXO-
Name
2-THIOPHENEPROPANENITRILE, A-(2,4-DICHLOROPHENYL)-B-OXO-
Formula
C13 H7 Cl2 N O S
MolWeight
296.176
1Identification
【Name】
2-THIOPHENEPROPANENITRILE, A-(2,4-DICHLOROPHENYL)-B-OXO-
【CAS】
【MDL】
MFCD20265837
【English Synonyms】
【Formula】
C13 H7 Cl2 N O S
【MolWeight】
296.176
【Inchi】
InChI=1S/C13H7Cl2NOS/c14-8-3-4-9(10(15)6-8)13(11(17)7-16)12-2-1-5-18-12/h1-6,13H
【InChIKey】
InChIKey=FGQGJSSKBWTYAW-UHFFFAOYSA-N
【SMILES】
c1cc(sc1)C(c2ccc(cc2Cl)Cl)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-(2,4-DICHLOROPHENYL)-B-OXO-.cml
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