Tulobuterol Impurity 6

CAT: 1299-RM-T120206-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T120206-01Size:10 mg

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CAS Number

118888-64-5

Synonyms

1- (2-chlorophenyl) -2,2-dihydroxyethanone

Molecular Formula

C8H7ClO3

Molecular Weight

186.59

Target Alternative Name

Tulobuterol

Product Name Synonym

1- (2-chlorophenyl) -2,2-dihydroxyethanone

Chemical Information

1-(2-Chlorophenyl)-2,2-dihydroxyethanone

CAS Number	118888-64-5
PubChem CID	14046172
IUPAC Name	1-(2-chlorophenyl)-2,2-dihydroxyethanone
Molecular Formula	C8H7ClO3
Molecular Weight	186.59
XLogP	0.9
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	170

SMILES

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

InChI

InChI=1S/C8H7ClO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,8,11-12H

InChIKey

AMXOIBFIDSOGMG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 118888-64-5

CID: 14046172

Formula: C8H7ClO3

MW: 186.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.59
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	186.0083718
Monoisotopic Mass	186.0083718
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	170
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