3-Chloro-5-ethoxy-4-methoxybenzaldehyde

CAT: 0926-LEB94897-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-LEB94897-01Size:0.5 g

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CAS Number

736948-97-3

MDL Number

MFCD02256401

Smiles

CCOC1=C (C (=CC (=C1) C=O) Cl) OC

Molecular Formula

C10H11ClO3

Molecular Weight

214.64 g/mol

Controlled

Chemical Information

3-Chloro-5-ethoxy-4-methoxybenzaldehyde

CAS Number	736948-97-3
PubChem CID	2168573
IUPAC Name	3-chloro-5-ethoxy-4-methoxybenzaldehyde
Molecular Formula	C10H11ClO3
Molecular Weight	214.64
XLogP	2.3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	186

SMILES

CCOC1=C(C(=CC(=C1)C=O)Cl)OC

InChI

InChI=1S/C10H11ClO3/c1-3-14-9-5-7(6-12)4-8(11)10(9)13-2/h4-6H,3H2,1-2H3

InChIKey

KBTYBYHNPJXGES-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 736948-97-3

CID: 2168573

Formula: C10H11ClO3

MW: 214.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.64
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	214.0396719
Monoisotopic Mass	214.0396719
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	186
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
MTA06666-01	3-chloro-4-ethoxy-5-methoxybenzaldehyde
TSA12557	2-Chloro-4-ethoxy-5-methoxybenzaldehyde
FE46457-01	3-Ethoxy-4-methoxybenzaldehyde
FE46006-01	4-Ethoxy-3-methoxybenzaldehyde
DSA48380-01	3-Ethoxy-5-iodo-4-methoxybenzaldehyde
JQA85733-01	4-Ethoxy-3-iodo-5-methoxybenzaldehyde
MBA68767-01	4- (Benzyloxy) -3-chloro-5-methoxybenzaldehyde
XEB41154-01	3-Chloro-4- (difluoromethoxy) -5-methoxybenzaldehyde
DSA47997	4- (Allyloxy) -3-chloro-5-methoxybenzaldehyde
BNB80189-01	5-Ethoxy-2-fluoro-4-methoxybenzaldehyde

Catalog	Name
sc-312779	3-Chloro-4-ethoxy-5-methoxybenzaldehyde
sc-346679	3-chloro-5-ethoxy-4-methoxybenzaldehyde
OR1088422-01	5-Chloro-4-ethoxy-2-methoxybenzaldehyde
OR1088464-01	3-Chloro-4-ethoxy-2-methoxybenzaldehyde
OR1088397-01	3-Chloro-2-ethoxy-4-methoxybenzaldehyde
OR1093453	3-Ethoxy-5-methoxybenzaldehyde
sc-276092	3-bromo-5-ethoxy-4-methoxybenzaldehyde
PC1016153-01	3-Ethoxy-5-fluoro-4-methoxybenzaldehyde
PC1016317-01	4-ethoxy-3-fluoro-5-methoxybenzaldehyde
OR1095791	3-Bromo-4-ethoxy-5-methoxybenzaldehyde