Tulobuterol Impurity 34

CAT: 1299-RM-T120234-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T120234-01Size:10 mg

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CAS Number

27993-71-1

Synonyms

2- (2-chlorophenyl) -2-oxoacetaldehyde

Molecular Formula

C8H5ClO2

Molecular Weight

168.58

Target Alternative Name

Tulobuterol

Product Name Synonym

2- (2-chlorophenyl) -2-oxoacetaldehyde

Chemical Information

2-Chlorophenylglyoxal

CAS Number	27993-71-1
PubChem CID	12463886
IUPAC Name	2-(2-chlorophenyl)-2-oxoacetaldehyde
Molecular Formula	C8H5ClO2
Molecular Weight	168.57
XLogP	1.9
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	167

SMILES

C1=CC=C(C(=C1)C(=O)C=O)Cl

InChI

InChI=1S/C8H5ClO2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-5H

InChIKey

RWCJDLOXCINLFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27993-71-1

CID: 12463886

Formula: C8H5ClO2

MW: 168.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.57
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	167.9978071
Monoisotopic Mass	167.9978071
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	167
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