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2,6-Difluorocinnamic Acid, Predominantly trans

2,6-Difluorocinnamic Acid, Predominantly trans - CAS 152152-09-5

Catalog:	BB010755
Product Name:	2,6-Difluorocinnamic Acid, Predominantly trans
CAS:	152152-09-5
Synonyms:	(E)-3-(2,6-difluorophenyl)-2-propenoic acid; (E)-3-(2,6-difluorophenyl)prop-2-enoic acid

Technical Data

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Computed Properties

IUPAC Name:	(E)-3-(2,6-difluorophenyl)prop-2-enoic acid
Description:	2,6-Difluorocinnamic Acid, Predominantly trans (CAS# 152152-09-5 ) is a useful research chemical.
Molecular Weight:	184.14
Molecular Formula:	C9H6F2O2
Canonical SMILES:	C1=CC(=C(C(=C1)F)C=CC(=O)O)F
InChI:	InChI=1S/C9H6F2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+
InChI Key:	JMUOYANNVIFGFN-SNAWJCMRSA-N
LogP:	2.06260

Publication Number	Title	Priority Date
CN-112608275-A	Application of 2, 8-bis (trifluoromethyl) -4-hydroxyquinoline derivative in preparation and prevention and treatment of agricultural diseases	20201229
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US-10544168-B2	Ligand-exchangeable nanoparticles and methods of making the same	20160615
US-2017362255-A1	Ligand-exchangeable nanoparticles and methods of making the same	20160615

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	206
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	184.03358575
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.03358575
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1