Imazalil

CAT: 0926-FI38406-01Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-FI38406-01Size:2 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

35554-44-0

MDL Number

MFCD00055331

Smiles

C=CCOC (CN1C=CN=C1) C2=C (C=C (C=C2) Cl) Cl

Molecular Formula

C14H14Cl2N2O

Molecular Weight

297.18 g/mol

Controlled

Chemical Information

Imazalil

Imazalil can cause cancer according to The Environmental Protection Agency (EPA).

CAS Number	35554-44-0
PubChem CID	37175
IUPAC Name	1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole
Molecular Formula	C14H14Cl2N2O
Molecular Weight	297.2
XLogP	3.8
Topological Polar Surface Area	27.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	291

SMILES

C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2

InChIKey

PZBPKYOVPCNPJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35554-44-0

CID: 37175

Formula: C14H14Cl2N2O

MW: 297.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.2
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	296.0483185
Monoisotopic Mass	296.0483185
Topological Polar Surface Area	27.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	291
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes