3-Bromo-4,5-dimethoxybenzaldehyde

CAT: 0926-FB70511-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FB70511-01Size:10 g

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CAS Number

6948-30-7

Synonyms

5-Bromoveratraldehyde

MDL Number

MFCD00003346

Smiles

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

Molecular Formula

C9H9BrO3

Molecular Weight

245.07 g/mol

Controlled

Chemical Information

3-Bromo-4,5-dimethoxybenzaldehyde

CAS Number	6948-30-7
PubChem CID	81379
IUPAC Name	3-bromo-4,5-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(=CC(=C1)C=O)Br)OC

InChI

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

InChIKey

ICVODPFGWCUVJC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6948-30-7

CID: 81379

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
FB19111-01	4-Bromo-3,5-dimethoxybenzaldehyde
GBA55841-01	4-Bromo-2,5-dimethoxybenzaldehyde
TCA21665-01	3-bromo-2,5-dimethoxybenzaldehyde
WCA29521	5-Bromo-2,3-dimethoxybenzaldehyde
FCA17160-01	2-Bromo-3,4-dimethoxybenzaldehyde
TAA26868	3-Chloro-4,5-dimethoxybenzaldehyde
PBA07525-01	4-Ethoxy-3,5-dimethoxybenzaldehyde
FH11488-01	4-Hydroxy-3,5-dimethoxybenzaldehyde
WCA92461-01	3-Fluoro-4,5-Dimethoxybenzaldehyde
GAA52732	4- (Benzyloxy) -3,5-dimethoxybenzaldehyde

Catalog	Name
sc-352383	4-Bromo-3,5-dimethoxybenzaldehyde
424360-01	3-Bromo-4,5-dimethoxybenzaldehyde
004728	4-Bromo-3,5-dimethoxybenzaldehyde-d6
sc-267305	4-Bromo-2,5-dimethoxybenzaldehyde
OR27568-01	2-Bromo-4,5-dimethoxybenzaldehyde
OR96098-01	5-Bromo-2,4-dimethoxybenzaldehyde
OR322720	5-Bromo-2-hydroxy-3,4-dimethoxybenzaldehyde
OR1093457	3-Bromo-2,5-dimethoxybenzaldehyde
sc-233282	5-Bromo-2,3-dimethoxybenzaldehyde
OR1096223	2-bromo-3,5-dimethoxybenzaldehyde