5-(3-Fluoro-phenyl)-3-hydroxy-1-methyl-1H-pyrrole-2,4-dicarboxylic Acid Diethyl Ester - CAS 1263212-40-3

Catalog:	BB065137
Product Name:	5-(3-Fluoro-phenyl)-3-hydroxy-1-methyl-1H-pyrrole-2,4-dicarboxylic Acid Diethyl Ester
CAS:	1263212-40-3
Synonyms:	Diethyl 5-(4-fluorophenyl)-3-hydroxy-1-methyl-1H-pyrrole-2,4-dicarboxylate; diethyl 5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrole-2,4-dicarboxylate; Diethyl5-(4-fluorophenyl)-3-hydroxy-1-methyl-1H-pyrrole-2,4-dicarboxylate; 5-(4-Fluoro-phenyl)-3-hydroxy-1-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester

Technical Data

IUPAC Name:	diethyl 5-(4-fluorophenyl)-3-hydroxy-1-methylpyrrole-2,4-dicarboxylate
Molecular Weight:	335.33
Molecular Formula:	C17H18FNO5
Canonical SMILES:	CCOC(=O)C1=C(N(C(=C1O)C(=O)OCC)C)C2=CC=C(C=C2)F
InChI:	InChI=1S/C17H18FNO5/c1-4-23-16(21)12-13(10-6-8-11(18)9-7-10)19(3)14(15(12)20)17(22)24-5-2/h6-9,20H,4-5H2,1-3H3
InChI Key:	OZYWHKDYBWEISS-UHFFFAOYSA-N
References:	Campaigne, E., et al. J. Heterocycl. Chem., 11, 929 (1974); Campaigne, E., et al. J. Heterocycl. Chem., 12, 67 (1975).

Complexity:	452
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	335.11690084
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	335.11690084
Rotatable Bond Count:	7
Topological Polar Surface Area:	77.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4