714278-09-8
1-(3-CHLORO-4-METHYLPHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
Name1-(3-CHLORO-4-METHYLPHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
1Identification
【Name】
1-(3-CHLORO-4-METHYLPHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
【CAS】
【MDL】
MFCD05998730
【English Synonyms】
【Formula】
C14 H14 Cl N O
【MolWeight】
247.724
【Inchi】
InChI=1S/C14H14ClNO/c1-9-4-5-13(7-14(9)15)16-10(2)6-12(8-17)11(16)3/h4-8H,1-3H3
【InChIKey】
InChIKey=AFKUUBLZHRTPBM-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1Cl)n2c(cc(c2C)C=O)C
【MOL File】
1-(3-CHLORO-4-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-CHLORO-4-METHYLPHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE.cml