Propranolol Impurity 4

CAT: 1596-AR-P33038-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P33038-02Size:25 Units

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CAS Number

20133-93-1

Synonyms

1-chloro-3- (naphthalen-1-yloxy) propan-2-ol

Molecular Formula

C13H13ClO2

Molecular Weight

236.70

API Name

Propranolol

Chemical Information

1-Chloro-3-(1-naphthyloxy)-2-propanol

structure in first source

CAS Number	20133-93-1
PubChem CID	89276
IUPAC Name	1-chloro-3-naphthalen-1-yloxypropan-2-ol
Molecular Formula	C13H13ClO2
Molecular Weight	236.69
XLogP	3.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	210

SMILES

C1=CC=C2C(=C1)C=CC=C2OCC(CCl)O

InChI

InChI=1S/C13H13ClO2/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,15H,8-9H2

InChIKey

ZVVJOJMCXYDDEW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20133-93-1

CID: 89276

Formula: C13H13ClO2

MW: 236.69

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	236.69
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	236.0604073
Monoisotopic Mass	236.0604073
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	210
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes