1- (2,4-Dichlorophenyl) butan-2-one

CAT: 0926-UDA14769-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-UDA14769-01Size:250 mg

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CAS Number

94147-69-0

MDL Number

MFCD11937015

Smiles

CCC (=O) CC1=C (C=C (C=C1) Cl) Cl

Molecular Formula

C10H10Cl2O

Molecular Weight

217.09 g/mol

Controlled

Chemical Information

1-(2,4-Dichlorophenyl)butan-2-one

CAS Number	94147-69-0
PubChem CID	39243692
IUPAC Name	1-(2,4-dichlorophenyl)butan-2-one
Molecular Formula	C10H10Cl2O
Molecular Weight	217.09
XLogP	3.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	182

SMILES

CCC(=O)CC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H10Cl2O/c1-2-9(13)5-7-3-4-8(11)6-10(7)12/h3-4,6H,2,5H2,1H3

InChIKey

IBGYWGXHSLPYAS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 94147-69-0

CID: 39243692

Formula: C10H10Cl2O

MW: 217.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.09
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	216.0108703
Monoisotopic Mass	216.0108703
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	182
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
SBA16040-01	4- (3,4-dichlorophenyl) butan-2-one
EQB28408-01	1- (2,4-Dichlorophenyl) butan-2-amine
KAC85053-01	4- (2,4-Dichlorophenyl) butan-1-amine
GAA58245-01	1- (3,4-Dichlorophenyl) butan-1-one
TDC31552-01	4- (3,4-Dichlorophenyl) butan-1-ol
UDA73952-01	1- (4-Methylphenyl) butan-2-one
IDA59807-01	1- (4-Chlorophenyl) butan-2-one
AIA06498-01	1- (4-Bromophenyl) butan-2-one
TLB42228-01	1- (4-Iodophenyl) butan-2-one
QDA94401-01	1- (3,4-Dichlorophenyl) butan-1-amine hydrochloride

Catalog	Name
PC1006396-01	4- (2-Fluorophenyl) butan-2-one
OR78333-01	4- (2-Chlorophenyl) butan-2-one
sc-276652	4- (2-furyl) butan-2-one
OR1069811-01	4- (2-Nitrophenyl) butan-2-one
MBS6028228-01	4-Tetrahydropyranyloxy-butan-2-one
OR32201-01	4- (Benzenesulfonyl) butan-2-one
OR1038114-01	4- (Dimethylamino) butan-2-one
OR77443-01	4- (Dibenzylamino) butan-2-one
OR1103021-01	4- (4-Bromophenyl) butan-2-one
OR28913	4- (4-Hydroxyphenyl) butan-2-one