5-Chloro-2,4-dimethoxybenzaldehyde

CAT: 0127-OR1045284-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1045284-01Size:100 mg

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CAS Number

912771-34-7

MDL Number

MFCD08691805

Purity

95%

Smiles

O=CC1=CC(Cl)=C(OC)C=C1OC

Chemical Information

5-Chloro-2,4-dimethoxybenzaldehyde

CAS Number	912771-34-7
PubChem CID	17604733
IUPAC Name	5-chloro-2,4-dimethoxybenzaldehyde
Molecular Formula	C9H9ClO3
Molecular Weight	200.62
XLogP	2
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	174

SMILES

COC1=CC(=C(C=C1C=O)Cl)OC

InChI

InChI=1S/C9H9ClO3/c1-12-8-4-9(13-2)7(10)3-6(8)5-11/h3-5H,1-2H3

InChIKey

GIVDGPVKJDAWMO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 912771-34-7

CID: 17604733

Formula: C9H9ClO3

MW: 200.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.62
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	200.0240218
Monoisotopic Mass	200.0240218
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174
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
OR76869-01	4-Chloro-2,5-dimethoxybenzaldehyde
OR52434	2-Chloro-4,5-dimethoxybenzaldehyde
OR1099758	4-chloro-3,5-dimethoxybenzaldehyde
OR1006304	3-Chloro-4,5-dimethoxybenzaldehyde
OR90868-01	5-Chloro-2,3-dimethoxybenzaldehyde
OR1088246-01	3-Chloro-2,5-dimethoxybenzaldehyde
OR1068119-01	2-Chloro-4,6-dimethoxybenzaldehyde
OR1096981	4-Chloro-2,6-dimethoxybenzaldehyde
OR28781-01	2-Chloro-3,4-dimethoxybenzaldehyde
OR81168-01	3-Chloro-2,4-dimethoxybenzaldehyde

Catalog	Name
TAA09305	2-Chloro-4,5-dimethoxybenzaldehyde
MLB77134-01	5-Chloro-2,4-dimethoxybenzaldehyde
TAA26868	3-Chloro-4,5-dimethoxybenzaldehyde
sc-254815	5-Chloro-2,3-dimethoxybenzaldehyde
416628-01	2-Chloro-3,4-dimethoxybenzaldehyde
HDA47761	2-Chloro-4,6-dimethoxybenzaldehyde
XCA48214	3-chloro-2,4-dimethoxybenzaldehyde
sc-346666A	3-chloro-4,5-dimethoxybenzaldehyde oxime
PAA38291	2-Hydroxy-4,5-dimethoxybenzaldehyde
sc-267305	4-Bromo-2,5-dimethoxybenzaldehyde