714278-11-2
2,5-DIMETHYL-1-(2-METHYL-5-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE
Name2,5-DIMETHYL-1-(2-METHYL-5-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE
1Identification
【Name】
2,5-DIMETHYL-1-(2-METHYL-5-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE
【CAS】
【MDL】
MFCD05998735
【English Synonyms】
【Formula】
C14 H14 N2 O3
【MolWeight】
258.276
【Inchi】
InChI=1S/C14H14N2O3/c1-9-4-5-13(16(18)19)7-14(9)15-10(2)6-12(8-17)11(15)3/h4-8H,1-3H3
【InChIKey】
InChIKey=ZKBVEXWNIXMILY-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1n2c(cc(c2C)C=O)C)[N+](=O)[O-]
【MOL File】
2,5-DIMETHYL-1-(2-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,5-DIMETHYL-1-(2-METHYL-5-NITROPHENYL)-1H-PYRROLE-3-CARBALDEHYDE.cml