Renofluthrin

CAT: 1596-AR-R10668-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R10668-06Size:250 Units

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CAS Number

352271-52-4

Molecular Formula

C17H16Cl2F4O3

Molecular Weight

415.21

API Name

Renofluthrin

Chemical Information

Renofluthrin

CAS Number	352271-52-4
PubChem CID	22239123
IUPAC Name	[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular Formula	C17H16Cl2F4O3
Molecular Weight	415.2
XLogP	4.6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	540

SMILES

CC1(C(C1C(=O)OCC2=C(C(=C(C(=C2F)F)COC)F)F)C=C(Cl)Cl)C

InChI

InChI=1S/C17H16Cl2F4O3/c1-17(2)9(4-10(18)19)11(17)16(24)26-6-8-14(22)12(20)7(5-25-3)13(21)15(8)23/h4,9,11H,5-6H2,1-3H3

InChIKey

MWFQAAWRPDRKDG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 352271-52-4

CID: 22239123

Formula: C17H16Cl2F4O3

MW: 415.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	415.2
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	414.0412624
Monoisotopic Mass	414.0412624
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	540
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes