72578-40-6
2-AMINO-1-(4-BROMOPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
Name2-AMINO-1-(4-BROMOPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
1Identification
【Name】
2-AMINO-1-(4-BROMOPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE
【CAS】
【MDL】
MFCD11105347
【English Synonyms】
【Formula】
C13 H12 Br N3
【MolWeight】
290.163
【Inchi】
InChI=1S/C13H12BrN3/c1-8-9(2)17(13(16)12(8)7-15)11-5-3-10(14)4-6-11/h3-6H,16H2,1-2H3
【InChIKey】
InChIKey=DEZHTLUMBMAQGI-UHFFFAOYSA-N
【SMILES】
Cc1c(n(c(c1C#N)N)c2ccc(cc2)Br)C
【MOL File】
2-AMINO-1-(4-BROMOPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-1-(4-BROMOPHENYL)-4,5-DIMETHYL-1H-PYRROLE-3-CARBONITRILE.cml