3-Bromo-2,6-dimethoxybenzaldehyde

CAT: 0926-EBA86651-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-EBA86651-01Size:250 mg

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CAS Number

29866-51-1

MDL Number

MFCD12025201

Smiles

COC1=C (C (=C (C=C1) Br) OC) C=O

Molecular Formula

C9H9BrO3

Molecular Weight

245.07 g/mol

Controlled

Chemical Information

3-Bromo-2,6-dimethoxybenzaldehyde

CAS Number	29866-51-1
PubChem CID	11149242
IUPAC Name	3-bromo-2,6-dimethoxybenzaldehyde
Molecular Formula	C9H9BrO3
Molecular Weight	245.07
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=C(C(=C(C=C1)Br)OC)C=O

InChI

InChI=1S/C9H9BrO3/c1-12-8-4-3-7(10)9(13-2)6(8)5-11/h3-5H,1-2H3

InChIKey

CTZDPLCWTYHSOR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29866-51-1

CID: 11149242

Formula: C9H9BrO3

MW: 245.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.07
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	243.97351
Monoisotopic Mass	243.97351
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
DCA81150-01	6-Bromo-2,3-dimethoxybenzaldehyde
GDA57469	2-Bromo-4,6-dimethoxybenzaldehyde
EEC05038-01	4-Bromo-2,6-dimethoxybenzaldehyde
TCA21665-01	3-bromo-2,5-dimethoxybenzaldehyde
WCA29521	5-Bromo-2,3-dimethoxybenzaldehyde
FCA17160-01	2-Bromo-3,4-dimethoxybenzaldehyde
FD70156-01	2,6-Dimethoxybenzaldehyde
IGB34233-01	2-Fluoro-3,6-dimethoxybenzaldehyde
FB19111-01	4-Bromo-3,5-dimethoxybenzaldehyde
GBA55841-01	4-Bromo-2,5-dimethoxybenzaldehyde

Catalog	Name
OR1039303-01	2-Bromo-3,6-dimethoxybenzaldehyde
OR1098023	3-Bromo-2,6-dimethoxybenzaldehyde
430926-01	4-Bromo-2,6-dimethoxybenzaldehyde
OR470723-01	2-Bromo-4,6-dimethoxybenzaldehyde
PC1024034-01	3-Bromo-2-fluoro-5,6-dimethoxybenzaldehyde
PC1012900-01	6-Bromo-2-fluoro-3,4-dimethoxybenzaldehyde
OR1093457	3-Bromo-2,5-dimethoxybenzaldehyde
sc-233282	5-Bromo-2,3-dimethoxybenzaldehyde
OR1096570	3-bromo-2,4-dimethoxybenzaldehyde
OR1096223	2-bromo-3,5-dimethoxybenzaldehyde