3-[ (2,4-Dichlorophenoxy) methyl]-4-methoxybenzaldehyde

CAT: 0926-NSA53077-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-NSA53077-01Size:250 mg

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CAS Number

438530-77-9

MDL Number

MFCD01114931

Smiles

COC1=C (C=C (C=C1) C=O) COC2=C (C=C (C=C2) Cl) Cl

Molecular Formula

C15H12Cl2O3

Molecular Weight

311.2 g/mol

Controlled

Chemical Information

3-[(2,4-Dichlorophenoxy)methyl]-4-methoxybenzaldehyde

CAS Number	438530-77-9
PubChem CID	590871
IUPAC Name	3-[(2,4-dichlorophenoxy)methyl]-4-methoxybenzaldehyde
Molecular Formula	C15H12Cl2O3
Molecular Weight	311.2
XLogP	4.1
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	20
Formal Charge	0
Complexity	313

SMILES

COC1=C(C=C(C=C1)C=O)COC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H12Cl2O3/c1-19-14-4-2-10(8-18)6-11(14)9-20-15-5-3-12(16)7-13(15)17/h2-8H,9H2,1H3

InChIKey

BGEZKPYVFALTSV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 438530-77-9

CID: 590871

Formula: C15H12Cl2O3

MW: 311.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.2
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	310.0163496
Monoisotopic Mass	310.0163496
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	313
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
HIB73735-01	3-[ (2,6-Dichlorophenoxy) methyl]-4-methoxybenzaldehyde
NCA46144-01	Methyl 2- (3,4-dichlorophenoxy) propanoate
WSB71508-01	Methyl 3- (2,4-dichlorophenoxy) propanoate
NSA21858-01	3-[ (2,3-Dichlorophenoxy) methyl]-4-methoxybenzohydrazide
HIB73718-01	3-[ (2-Ethoxyphenoxy) methyl]-4-methoxybenzaldehyde
HIB73715-01	3-[ (2-Formylphenoxy) methyl]-4-methoxybenzaldehyde
NSA53090-01	3- ((2,3-Dimethylphenoxy) methyl) -4-methoxybenzaldehyde
YZB77508-01	[2- (3,4-Dichlorophenoxy) butyl] (methyl) amine
NSA22165-01	3-[ (4-Formylphenoxy) methyl]-4-methoxybenzaldehyde
ZZB94663-01	[2- (3,4-Dichlorophenoxy) propyl] (methyl) amine

Catalog	Name
sc-312027	3-[ (2,3-Dichlorophenoxy) methyl]-4-methoxybenzaldehyde
sc-315149	4-[ (2,4-Dichlorophenoxy) methyl]piperidine
OR12132	Methyl 4- (2,4-dichlorophenoxy) butanoate
sc-274069	2-[ (2,4-dichlorophenoxy) methyl]oxirane
OR1055136-01	Methyl 2- (2,4-dichlorophenoxy) acetate
sc-312040	3-[ (2,4-Difluorophenoxy) methyl]-4-methoxybenzaldehyde
OR1036305-01	Methyl 4- ((2,6-dichlorophenoxy) methyl) benzoate
sc-315153	4-[ (2,5-Dichlorophenoxy) methyl]piperidine
sc-315138	4-[ (2,3-Dichlorophenoxy) methyl]piperidine
OR0431-01	2-[ (3,4-Dichlorophenoxy) methyl]oxirane