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

CAT: 0127-OR32597-01Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-OR32597-01Size:500 mg

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CAS Number

113337-38-5

MDL Number

MFCD07698585

Purity

95%

Smiles

OCC(=O)c1ccc(Cl)c(Cl)c1

Chemical Information

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

CAS Number	113337-38-5
PubChem CID	7062193
IUPAC Name	1-(3,4-dichlorophenyl)-2-hydroxyethanone
Molecular Formula	C8H6Cl2O2
Molecular Weight	205.03
XLogP	2.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	172

SMILES

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

InChI

InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,11H,4H2

InChIKey

VEQBTDISCZJNID-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 113337-38-5

CID: 7062193

Formula: C8H6Cl2O2

MW: 205.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.03
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	203.9744848
Monoisotopic Mass	203.9744848
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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
OR32799-01	1- (4-Chlorophenyl) -2-hydroxyethan-1-one
OR87375-01	1-Cyclopropyl-2-hydroxyethan-1-one
OR79169-01	1- (3-Bromophenyl) -2-hydroxyethan-1-one
PC101939-01	1- (3-Fluorophenyl) -2-hydroxyethan-1-one
OR1037321-01	2- (4-Bromophenyl) -1- (4- (dimethylamino) phenyl) -2-hydroxyethan-1-one
OR93454-01	1- (3-Chlorophenyl) -2-hydroxyethan-1-one
OR1008895-01	1- (2,4-Dichlorophenyl) Propan-1-One
OR33083-01	1- (3,4-Dichlorophenyl) -2-methanesulfonylethan-1-one
OR33235-01	1- (2,4-Dichlorophenyl) -2-methanesulfonylethan-1-one
OR1061519-01	2- (2,4-Dichlorophenyl) cyclobutan-1-one

Catalog	Name
NEA33738-01	1- (3,4-Dichlorophenyl) -2-hydroxyethan-1-one
CBA99356	1- (4-Chlorophenyl) -2-hydroxyethan-1-one
sc-258463	1- (4-Fluorophenyl) -2-hydroxyethan-1-one
DEA32324-01	1- (4-Ethylphenyl) -2-hydroxyethan-1-one
WJB87899-01	1- (2,4-Dimethoxyphenyl) -2-hydroxyethan-1-one
FB76397-01	1- (4-Bromophenyl) -2-hydroxyethan-1-one
CMB80205-01	1- (3-Chloro-4-methoxyphenyl) -2-hydroxyethan-1-one
EAA07951-01	1- (3-Bromophenyl) -2-hydroxyethan-1-one
CDA38764	1,2-Bis (4-tert-butylphenyl) -2-hydroxyethan-1-one
CCA42029-01	1- (3,4-Dichlorophenyl) imidazolidin-2-one