928708-08-1
1H-PYRROLE-3-CARBOXALDEHYDE, 2,5-DIMETHYL-1-(4-METHYL-2-NITROPHENYL)-
Name1H-PYRROLE-3-CARBOXALDEHYDE, 2,5-DIMETHYL-1-(4-METHYL-2-NITROPHENYL)-
1Identification
【Name】
1H-PYRROLE-3-CARBOXALDEHYDE, 2,5-DIMETHYL-1-(4-METHYL-2-NITROPHENYL)-
【CAS】
【MDL】
MFCD08753635
【EnglishSynonyms】
【pro_formula】
C14 H14 N2 O3
【pro_molWeight】
258.276
【Inchi】
InChI=1S/C14H14N2O3/c1-9-4-5-13(14(6-9)16(18)19)15-10(2)7-12(8-17)11(15)3/h4-8H,1-3H3
【InChIKey】
InChIKey=VFIYWUQQDPVDMF-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)[N+](=O)[O-])n2c(cc(c2C)C=O)C
【MOL File】
1H-PYRROLE-3-CARBOXA….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-PYRROLE-3-CARBOXALDEHYDE, 2,5-DIMETHYL-1-(4-METHYL-2-NITROPHENYL)-.cml