51504-17-7
4-FLUORO-5-(2,4,6-TRIMETHYLPHENYL)-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER
Name4-FLUORO-5-(2,4,6-TRIMETHYLPHENYL)-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
4-FLUORO-5-(2,4,6-TRIMETHYLPHENYL)-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD18969740
【English Synonyms】
【Formula】
C15 H16 F N O2
【MolWeight】
261.294
【Inchi】
InChI=1S/C15H16FNO2/c1-8-5-9(2)13(10(3)6-8)14-11(16)7-12(17-14)15(18)19-4/h5-7,17H,1-4H3
【InChIKey】
InChIKey=CJHBOPUQRBLTLG-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1)C)c2c(cc([nH]2)C(=O)OC)F)C
【MOL File】
4-FLUORO-5-(2,4,6-TR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-FLUORO-5-(2,4,6-TRIMETHYLPHENYL)-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER.cml