1- (3,4-Dichlorophenyl) -2,2-dihydroxyethan-1-one

CAT: 0926-IYB09093-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-IYB09093-01Size:50 mg

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CAS Number

1208090-93-0

MDL Number

MFCD05864650

Smiles

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

Molecular Formula

C8H6Cl2O3

Molecular Weight

221.03 g/mol

Controlled

Chemical Information

1-(3,4-Dichlorophenyl)-2,2-dihydroxyethan-1-one

CAS Number	1208090-93-0
PubChem CID	57327434
IUPAC Name	1-(3,4-dichlorophenyl)-2,2-dihydroxyethanone
Molecular Formula	C8H6Cl2O3
Molecular Weight	221.03
XLogP	1.9
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	196

SMILES

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

InChI

InChI=1S/C8H6Cl2O3/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,8,12-13H

InChIKey

DCRUOXMDORXCDB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1208090-93-0

CID: 57327434

Formula: C8H6Cl2O3

MW: 221.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.03
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	219.9693994
Monoisotopic Mass	219.9693994
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	196
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
CCA42029-01	1- (3,4-Dichlorophenyl) imidazolidin-2-one
XZB60907-01	2- (3,4-Dichlorophenyl) cyclopentan-1-one
NEA33738-01	1- (3,4-Dichlorophenyl) -2-hydroxyethan-1-one
AKB91650-01	1- (3,4-dichlorophenyl) -2-methylpropan-1-one
ICC43600-01	4- (2,4-Dichlorophenyl) -1,2-dihydrophthalazin-1-one
ZZB89222-01	3-Amino-1- (2,4-dichlorophenyl) pyrrolidin-2-one
BBB35840-01	1-Bromo-3- (2,4-dichlorophenyl) propan-2-one
TDC65629-01	3-Amino-1- (2,4-dichlorophenyl) piperidin-2-one
UDA14769-01	1- (2,4-Dichlorophenyl) butan-2-one
CXB22887-01	1- (2,4-Dichlorophenyl) -4-methylpentan-2-one

Catalog	Name
PC100050-01	1- (3,4-Dichlorophenyl) -2,2-difluoroethan-1-one
OR12078-01	1- (3,4-Dichlorophenyl) imidazolidin-2-one
OR32597-01	1- (3,4-Dichlorophenyl) -2-hydroxyethan-1-one
OR33083-01	1- (3,4-Dichlorophenyl) -2-methanesulfonylethan-1-one
OR110317	4- (2,4-Dichlorophenyl) -1,3-thiazol-2 (3H) -one
OR1061519-01	2- (2,4-Dichlorophenyl) cyclobutan-1-one
OR33235-01	1- (2,4-Dichlorophenyl) -2-methanesulfonylethan-1-one
JH33270	1- (2,3-dichlorophenyl) propan-2-one
OR1044950-01	3- (3,4-Dichlorophenyl) piperazin-2-one
OR322983	4- (3,4-Dichlorophenyl) but-3-en-2-one