trans-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid - CAS 72748-68-6

Catalog:	BB069702
Product Name:	trans-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid
CAS:	72748-68-6
Synonyms:	(1R,3S)-rel-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid; trans-(±)-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid

Technical Data

IUPAC Name:	(1R,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
Description:	trans-3-(2-Chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid is a reagent used in the synthesis of indanyl insecticides.
Molecular Weight:	242.62
Molecular Formula:	C9H10ClF3O2
Canonical SMILES:	CC1(C(C1C(=O)O)C=C(C(F)(F)F)Cl)C
InChI:	InChI=1S/C9H10ClF3O2/c1-8(2)4(6(8)7(14)15)3-5(10)9(11,12)13/h3-4,6H,1-2H3,(H,14,15)/b5-3-/t4-,6+/m1/s1
InChI Key:	SPVZAYWHHVLPBN-FAAOWNOOSA-N
Melting Point:	109 - 112°C
Solubility:	Acetone (Slightly), Chloroform (Slightly)
Appearance:	Off-White to Pale Beige Solid
Storage:	Refrigerator

Complexity:	320
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	1
Exact Mass:	242.0321417
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.0321417
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4