5-Bromo-2,3-Dimethoxybenzaldehyde

CAT: 0127-OR1027244-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1027244-01Size:100 mg

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CAS Number

71295-21-1

Synonyms

5-bromo-2,3-dimethoxybenzaldehyde

Purity

99%

Smiles

COC1=CC(=CC(=C1OC)C=O)Br

Chemical Information

5-Bromo-2,3-dimethoxybenzaldehyde

CAS Number	71295-21-1
PubChem CID	322405
IUPAC Name	5-bromo-2,3-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=CC(=CC(=C1OC)C=O)Br

InChI

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

InChIKey

RVMWFOFQRYTRHZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 71295-21-1

CID: 322405

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
OR1093457	3-Bromo-2,5-dimethoxybenzaldehyde
OR1096223	2-bromo-3,5-dimethoxybenzaldehyde
OR27568-01	2-Bromo-4,5-dimethoxybenzaldehyde
OR914369-01	4-Bromo-3,5-dimethoxybenzaldehyde
OR96098-01	5-Bromo-2,4-dimethoxybenzaldehyde
OR0915-01	4-Bromo-2,5-dimethoxybenzaldehyde
OR322720	5-Bromo-2-hydroxy-3,4-dimethoxybenzaldehyde
PC1024034-01	3-Bromo-2-fluoro-5,6-dimethoxybenzaldehyde
OR1098023	3-Bromo-2,6-dimethoxybenzaldehyde
OR1039303-01	2-Bromo-3,6-dimethoxybenzaldehyde

Catalog	Name
JH451508	5-bromo-2,3-dimethoxybenzaldehyde
TCA21665-01	3-bromo-2,5-dimethoxybenzaldehyde
sc-267305	4-Bromo-2,5-dimethoxybenzaldehyde
RG-A262438-01	4-Bromo-3,5-Dimethoxybenzaldehyde
sc-226933	5-Bromo-2,4-dimethoxybenzaldehyde
FB70511-01	3-Bromo-4,5-dimethoxybenzaldehyde
EBA86651-01	3-Bromo-2,6-dimethoxybenzaldehyde
DCA81150-01	6-Bromo-2,3-dimethoxybenzaldehyde
FCA17160-01	2-Bromo-3,4-dimethoxybenzaldehyde
004728	4-Bromo-3,5-dimethoxybenzaldehyde-d6