Chlorfluazuron

CAT: 0926-FC103526-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-FC103526-01Size:0.25 g

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CAS Number

71422-67-8

MDL Number

MFCD00143948

Smiles

C1=CC (=C (C (=C1) F) C (=O) NC (=O) NC2=CC (=C (C (=C2) Cl) OC3=C (C=C (C=N3) C (F) (F) F) Cl) Cl) F

Molecular Formula

C20H9Cl3F5N3O3

Molecular Weight

540.65 g/mol

Controlled

Chemical Information

Chlorfluazuron

Chlorfluazuron is a dichlorobenzene, an organochlorine insecticide, a benzoylurea insecticide and an organofluorine insecticide.

CAS Number	71422-67-8
PubChem CID	91708
IUPAC Name	N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]-2,6-difluorobenzamide
Molecular Formula	C20H9Cl3F5N3O3
Molecular Weight	540.6
XLogP	6.7
Topological Polar Surface Area	80.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	34
Formal Charge	0
Complexity	715

SMILES

C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl)F

InChI

InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)

InChIKey

UISUNVFOGSJSKD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71422-67-8

CID: 91708

Formula: C20H9Cl3F5N3O3

MW: 540.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	540.6
XLogP3	6.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	538.962965
Monoisotopic Mass	538.962965
Topological Polar Surface Area	80.3 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	715
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-C353000-01	Chlorfluazuron
HY-133204R	Chlorfluazuron (Standard)
LCS-4017	1000 ug/mL Chlorfluazuron in HPLC Acetonitrile - 1ML
P874750C	Chlorfluazuron [CAS:71422-67-8] 1000ug/ml in Acetone