Bisoprolol Impurity 74

CAT: 1299-RM-B191674-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B191674-01Size:10 mg

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CAS Number

188128-73-6

Synonyms

4-hydroxybenzyl 4-methylbenzenesulfonate

Molecular Formula

C14H14O4S

Molecular Weight

278.32

Target Alternative Name

Bisoprolol

Chemical Information

Bisoprolol Impurity 80

CAS Number	188128-73-6
PubChem CID	562684
IUPAC Name	(4-hydroxyphenyl)methyl 4-methylbenzenesulfonate
Molecular Formula	C14H14O4S
Molecular Weight	278.33
XLogP	2.7
Topological Polar Surface Area	72
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	357

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=C(C=C2)O

InChI

InChI=1S/C14H14O4S/c1-11-2-8-14(9-3-11)19(16,17)18-10-12-4-6-13(15)7-5-12/h2-9,15H,10H2,1H3

InChIKey

INYABRQUYLYNBL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 188128-73-6

CID: 562684

Formula: C14H14O4S

MW: 278.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.33
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	278.06128010
Monoisotopic Mass	278.06128010
Topological Polar Surface Area	72 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	357
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-B191601-01	Bisoprolol EP Impurity A; Bisoprolol USP Rc A
RM-B191666-01	Bisoprolol Impurity 66
RM-B191683-01	Bisoprolol Impurity 83
RM-B191682-01	Bisoprolol Impurity 82
RM-B191681-01	Bisoprolol Impurity 81
RM-B191673-01	Bisoprolol Impurity 73
RM-B191671-01	Bisoprolol Impurity 71
RM-B191625-01	Bisoprolol Impurity 25
RM-B191627-01	Bisoprolol Impurity 27
RM-B191631-01	Bisoprolol Impurity 31

Catalog	Name
AR-B01745-01	Bisoprolol Impurity *
AR-B01746-01	Bisoprolol Impurity E (Dehydroxy Bisoprolol)
AR-B01744-01	Bisoprolol Phenol Impurity
AR-B07373-01	Bisoprolol Impurity 22
AR-B07372-01	Bisoprolol Impurity 21
IK24763-01	Bisoprolol impurity K
AR-B01768-01	Bisoprolol Impurity 11
AR-B01764-01	Bisoprolol Impurity 6
AR-B07377-01	Bisoprolol Impurity 28
AR-B07369-01	Bisoprolol Impurity 16