241488-81-3
1-(4-IODO-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
Name1-(4-IODO-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
1Identification
【Name】
1-(4-IODO-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
【CAS】
【MDL】
MFCD01009399
【English Synonyms】
【Formula】
C13 H12 I N O
【MolWeight】
325.144
【Inchi】
InChI=1S/C13H12INO/c1-9-7-11(8-16)10(2)15(9)13-5-3-12(14)4-6-13/h3-8H,1-2H3
【InChIKey】
InChIKey=SSNYMKCLPCTDEB-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(n1c2ccc(cc2)I)C)C=O
【MOL File】
1-(4-IODO-PHENYL)-2,….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-(4-IODO-PHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE.cml