Pinaverium Bromide Impurity 3

CAT: 1299-RM-P092703-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P092703-01Size:10 mg

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CAS Number

1126385-20-3

Synonyms

(2-bromo-4,5-dimethylphenyl) methanol

Molecular Formula

C9H11BrO

Molecular Weight

215.09

Target Alternative Name

Pinaverium

Product Name Synonym

(2-bromo-4,5-dimethylphenyl) methanol

Chemical Information

(2-Bromo-4,5-dimethylphenyl)methanol

CAS Number	1126385-20-3
PubChem CID	68854763
IUPAC Name	(2-bromo-4,5-dimethylphenyl)methanol
Molecular Formula	C9H11BrO
Molecular Weight	215.09
XLogP	2.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	127

SMILES

CC1=CC(=C(C=C1C)Br)CO

InChI

InChI=1S/C9H11BrO/c1-6-3-8(5-11)9(10)4-7(6)2/h3-4,11H,5H2,1-2H3

InChIKey

BBOZOFOSGSSLQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1126385-20-3

CID: 68854763

Formula: C9H11BrO

MW: 215.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.09
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	213.99933
Monoisotopic Mass	213.99933
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	127
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