Tulobuterol Impurity 14

CAT: 1299-RM-T120214-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T120214-01Size:10 mg

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CAS Number

6314-52-9

Synonyms

2-bromo-1- (4-chlorophenyl) ethanol

Molecular Formula

C8H8BrClO

Molecular Weight

235.51

Target Alternative Name

Tulobuterol

Product Name Synonym

2-bromo-1- (4-chlorophenyl) ethanol

Chemical Information

2-Bromo-1-(4-chlorophenyl)ethan-1-ol

CAS Number	6314-52-9
PubChem CID	236800
IUPAC Name	2-bromo-1-(4-chlorophenyl)ethanol
Molecular Formula	C8H8BrClO
Molecular Weight	235.50
XLogP	2.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	113

SMILES

C1=CC(=CC=C1C(CBr)O)Cl

InChI

InChI=1S/C8H8BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,11H,5H2

InChIKey

OARLXKUTYSMNRK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6314-52-9

CID: 236800

Formula: C8H8BrClO

MW: 235.50

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.50
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	233.94471
Monoisotopic Mass	233.94471
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	113
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