72578-55-3
2-AMINO-1-(3,4-DICHLOROPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
Name2-AMINO-1-(3,4-DICHLOROPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
1Identification
【Name】
2-AMINO-1-(3,4-DICHLOROPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
【CAS】
【MDL】
MFCD11209810
【English Synonyms】
【Formula】
C13 H11 Cl2 N3
【MolWeight】
280.157
【Inchi】
InChI=1S/C13H11Cl2N3/c1-7-8(2)18(13(17)10(7)6-16)9-3-4-11(14)12(15)5-9/h3-5H,17H2,1-2H3
【InChIKey】
InChIKey=FWRNYQKGHLLDAU-UHFFFAOYSA-N
【SMILES】
Cc1c(n(c(c1C#N)N)c2ccc(c(c2)Cl)Cl)C
【MOL File】
2-AMINO-1-(3,4-DICHL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-1-(3,4-DICHLOROPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE.cml