Pinaverium Bromide Impurity 46

CAT: 1299-RM-P092746-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P092746-01Size:10 mg

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CAS Number

5392-10-9

Synonyms

2-bromo-4,5-dimethoxybenzaldehyde

Molecular Formula

C9H9BrO3

Molecular Weight

245.07

Target Alternative Name

Pinaverium Bromide

Product Name Synonym

2-bromo-4,5-dimethoxybenzaldehyde

Chemical Information

6-Bromo-3,4-dimethoxybenzaldehyde

CAS Number	5392-10-9
PubChem CID	79351
IUPAC Name	2-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=C(C(=C1)C=O)Br)OC

InChI

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

InChIKey

UQQROBHFUDBOOK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5392-10-9

CID: 79351

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
RM-P092740-01	Pinaverium Bromide Impurity 40
RM-P092708-01	Pinaverium Bromide Impurity 8
RM-P092728-01	Pinaverium Bromide Impurity 28
RM-P092718-01	Pinaverium Bromide Impurity 18
RM-P092758-01	Pinaverium Bromide Impurity 58
RM-P092756-01	Pinaverium Bromide Impurity 56
RM-P092755-01	Pinaverium Bromide Impurity 55
RM-P092752-01	Pinaverium Bromide Impurity 52
RM-P092736-01	Pinaverium Bromide Impurity 36
RM-P092732-01	Pinaverium Bromide Impurity 32

Catalog	Name
AR-P31682-01	Pinaverium Bromide Impurity
AR-P31696-01	Pinaverium Bromide Impurity 7 Bromide
AR-P01965-01	Pinaverium Bromide Impurity 3
AR-P31690-01	Pinaverium Bromide Impurity 20
FB180728-01	Pinaverium bromide impurity 11
AR-P31684-01	Pinaverium Bromide Impurity 14
AR-P31688-01	Pinaverium Bromide Impurity 17
AR-P01966-01	Pinaverium Bromide Impurity 8
AR-P01962-01	Pinaverium Bromide Impurity 1
AR-P31683-01	Pinaverium Bromide Impurity 13