2-(4-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid - CAS 69570-82-7

Name: 2-(4-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
Brand: BOC Sciences
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Catalog:	BB050014
Product Name:	2-(4-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CAS:	69570-82-7
Synonyms:	2-(4-fluorophenyl)thiazolidine-4-carboxylic acid; 2-(4-Fluoro-phenyl)-thiazolidine-4-carboxylic acid; 4-Thiazolidinecarboxylicacid, 2-(4-fluorophenyl)-

Technical Data

IUPAC Name:	2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
Description:	2-(4-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid (CAS# 69570-82-7 ) is a useful research chemical.
Molecular Weight:	227.26
Molecular Formula:	C10H10FNO2S
Canonical SMILES:	C1C(NC(S1)C2=CC=C(C=C2)F)C(=O)O
InChI:	InChI=1S/C10H10FNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-4,8-9,12H,5H2,(H,13,14)
InChI Key:	GPKWJQGAXZSDCF-UHFFFAOYSA-N
Boiling Point:	429.5 °C at 760 mmHg
Purity:	95 %
Density:	1.378 g/cm³

Complexity:	244
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.0416279
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	227.0416279
Rotatable Bond Count:	2
Topological Polar Surface Area:	74.6
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7