Pinaverium Bromide Impurity 18

CAT: 1299-RM-P092718-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P092718-01Size:10 mg

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CAS Number

175844-54-9

Synonyms

Benzene, 1-bromo-2- (bromomethyl) -3,4-dimethoxy-Chemical

Molecular Formula

C9H10Br2O2

Molecular Weight

309.99

Target Alternative Name

Pinaverium Bromide

Product Name Synonym

Benzene,1-bromo-2- (bromomethyl) -3,4-dimethoxy-Chemical

Chemical Information

1-Bromo-2-(bromomethyl)-3,4-dimethoxybenzene

CAS Number	175844-54-9
PubChem CID	15784949
IUPAC Name	1-bromo-2-(bromomethyl)-3,4-dimethoxybenzene
Molecular Formula	C9H10Br2O2
Molecular Weight	309.98
XLogP	3.1
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	155

SMILES

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

InChI

InChI=1S/C9H10Br2O2/c1-12-8-4-3-7(11)6(5-10)9(8)13-2/h3-4H,5H2,1-2H3

InChIKey

AJAYESVYITWCMY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 175844-54-9

CID: 15784949

Formula: C9H10Br2O2

MW: 309.98

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.98
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	309.90271
Monoisotopic Mass	307.90475
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	155
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-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
RM-P092710-01	Pinaverium Bromide Impurity 10

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