4686-05-9
(4-CHLORO-PHENYLAMINO)-PHENYL-ACETONITRILE
Name(4-CHLORO-PHENYLAMINO)-PHENYL-ACETONITRILE
1Identification
【Name】
(4-CHLORO-PHENYLAMINO)-PHENYL-ACETONITRILE
【CAS】
【MDL】
MFCD00176570
【English Synonyms】
【Formula】
C14 H11 Cl N2
【MolWeight】
242.708
【Inchi】
InChI=1S/C14H11ClN2/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9,14,17H
【InChIKey】
InChIKey=PEMLGSVHDFCRIY-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(C#N)Nc2ccc(cc2)Cl
【MOL File】
(4-CHLORO-PHENYLAMIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-CHLORO-PHENYLAMINO)-PHENYL-ACETONITRILE.cml