Pinaverium Bromide Impurity 17

CAT: 1596-AR-P31688-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P31688-01Size:10 Units

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CAS Number

21852-32-4

Synonyms

4- (Bromomethyl) -1,2-dimethoxybenzene

Molecular Formula

C9H11BrO2

Molecular Weight

231.09

API Name

Pinaverium bromide

Chemical Information

3,4-Dimethoxybenzyl bromide

CAS Number	21852-32-4
PubChem CID	10900458
IUPAC Name	4-(bromomethyl)-1,2-dimethoxybenzene
Molecular Formula	C9H11BrO2
Molecular Weight	231.09
XLogP	2.1
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	130

SMILES

COC1=C(C=C(C=C1)CBr)OC

InChI

InChI=1S/C9H11BrO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6H2,1-2H3

InChIKey

AKPSLMUFDIXDJJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21852-32-4

CID: 10900458

Formula: C9H11BrO2

MW: 231.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.09
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	229.99424
Monoisotopic Mass	229.99424
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130
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
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
AR-P31684-01	Pinaverium Bromide Impurity 14
AR-P01966-01	Pinaverium Bromide Impurity 8
AR-P01962-01	Pinaverium Bromide Impurity 1
AR-P31683-01	Pinaverium Bromide Impurity 13
AR-P31687-01	Pinaverium Bromide Impurity 15
AR-P31689-01	Pinaverium Bromide Impurity 18

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