Name: Name:Benzeneacetic acid, α-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (αE)-
Brand: Angene
SKU: AG000EBC
Rating: 90 (10 reviews)

Benzeneacetic acid, α-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (αE)-

CAS No.:

117428-22-5

Catalog Number:

AG000EBC

Molecular Formula:

C18H16F3NO4

Molecular Weight:

367.3191

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Product Description

Catalog Number:

AG000EBC

Chemical Name:

Benzeneacetic acid, α-(methoxymethylene)-2-[[[6-(trifluoromethyl)-2-pyridinyl]oxy]methyl]-, methyl ester, (αE)-

CAS Number:

117428-22-5

Molecular Formula:

C18H16F3NO4

Molecular Weight:

367.3191

MDL Number:

MFCD04112618

IUPAC Name:

methyl (E)-3-methoxy-2-[2-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]phenyl]prop-2-enoate

InChI:

InChI=1S/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3/b14-11+

InChI Key:

IBSNKSODLGJUMQ-SDNWHVSQSA-N

SMILES:

CO/C=C(\c1ccccc1COc1cccc(n1)C(F)(F)F)/C(=O)OC

EC Number:

601-478-9

UNII:

62DH7GEL1P

Properties

Complexity:

495

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

367.103g/mol

Formal Charge:

Heavy Atom Count:

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Isotope Atom Count:

Molecular Weight:

367.324g/mol

Monoisotopic Mass:

367.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Profiling 976 ToxCast chemicals across 331 enzymatic and receptor signaling assays.	Chemical research in toxicology 20130617
Design, synthesis and structure-activity relationship of novel coumarin derivatives.	Pest management science 20110601

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