4-Methoxy-3- (pentachlorophenoxymethyl) benzaldehyde

CAT: 0926-ENA22274-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-ENA22274-01Size:0.5 g

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CAS Number

329222-74-4

MDL Number

MFCD01114929

Smiles

COC1=C (C=C (C=C1) C=O) COC2=C (C (=C (C (=C2Cl) Cl) Cl) Cl) Cl

Molecular Formula

C15H9Cl5O3

Molecular Weight

414.5 g/mol

Controlled

Chemical Information

4-Methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]benzaldehyde

CAS Number	329222-74-4
PubChem CID	590886
IUPAC Name	4-methoxy-3-[(2,3,4,5,6-pentachlorophenoxy)methyl]benzaldehyde
Molecular Formula	C15H9Cl5O3
Molecular Weight	414.5
XLogP	6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	383

SMILES

COC1=C(C=C(C=C1)C=O)COC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/C15H9Cl5O3/c1-22-9-3-2-7(5-21)4-8(9)6-23-15-13(19)11(17)10(16)12(18)14(15)20/h2-5H,6H2,1H3

InChIKey

XIXCSLNZWBYGHA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 329222-74-4

CID: 590886

Formula: C15H9Cl5O3

MW: 414.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	414.5
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	413.896482
Monoisotopic Mass	411.899433
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	383
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
RNA94207	4-Methoxy-3-[ (4-nitrophenyl) methoxy]benzaldehyde
TCA88546-01	3-Methoxy-4-methylsulfanyl-benzaldehyde
WAA96249	4-Cyano-3-methoxy-benzaldehyde
FJB47484-01	4- (3-Methoxy-phenoxy) -benzaldehyde
TEA79148-01	4-Methoxy-3- (pentyloxy) benzaldehyde
ADA88955-01	4-Methoxy-3- (methylsulfanyl) benzaldehyde
XHA57317-01	4-Cyclopentyloxy-3-methoxy-benzaldehyde
FM70120-01	4-Methoxy-3- (trifluoromethyl) benzaldehyde
FM58117-01	3-Methoxy-4- (difluoromethoxy) benzaldehyde
HIB74081-01	4-[ (3,4-Diethoxyphenyl) methoxy]benzaldehyde

Catalog	Name
OR1076654-01	3-Methoxy-4- ((methylsulfonyl) methoxy) benzaldehyde
280898-01	3-Iodo-4-methoxy-benzaldehyde
OR1075336	3-Methoxy-4- (methoxymethoxy) benzaldehyde
sc-312893	3-Difluoromethoxy-4-methoxy-benzaldehyde
284758-01	3-Methoxy-4- (difluoromethoxy) benzaldehyde
284461-01	4-Methoxy-3- (methoxymethyl) benzaldehyde
sc-277439	4-Isopropoxy-3-methoxy-benzaldehyde
sc-313124	3-Hydroxymethyl-4-methoxy-benzaldehyde
sc-316635	4-Methoxy-3- (phenoxymethyl) benzaldehyde
sc-316245	4-Cyclopentyloxy-3-methoxy-benzaldehyde