1- (4-Iodophenyl) butan-2-one

CAT: 0926-TLB42228-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-TLB42228-01Size:50 mg

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CAS Number

918422-28-3

MDL Number

MFCD21243354

Smiles

CCC (=O) CC1=CC=C (C=C1) I

Molecular Formula

C10H11IO

Molecular Weight

274.1 g/mol

Controlled

Chemical Information

1-(4-Iodophenyl)butan-2-one

CAS Number	918422-28-3
PubChem CID	59465479
IUPAC Name	1-(4-iodophenyl)butan-2-one
Molecular Formula	C10H11IO
Molecular Weight	274.10
XLogP	2.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	148

SMILES

CCC(=O)CC1=CC=C(C=C1)I

InChI

InChI=1S/C10H11IO/c1-2-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3

InChIKey

CBFRKSKZPSVHPZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 918422-28-3

CID: 59465479

Formula: C10H11IO

MW: 274.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	274.10
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	273.98546
Monoisotopic Mass	273.98546
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	148
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
TLB54055	4- (4-Iodophenyl) butan-2-one
YWC75075-01	4- (4-Iodophenyl) butan-2-amine hydrochloride
UDA73952-01	1- (4-Methylphenyl) butan-2-one
IDA59807-01	1- (4-Chlorophenyl) butan-2-one
AIA06498-01	1- (4-Bromophenyl) butan-2-one
UDA14769-01	1- (2,4-Dichlorophenyl) butan-2-one
DCA31425-01	4- (Dimethylphosphoryl) butan-2-one
BBA73407-01	4- (dibenzylamino) butan-2-one
DAA50675	4- (4-Chlorophenyl) butan-2-one
HBA35297-01	4- (4-Methoxyphenoxy) butan-2-one

Catalog	Name
OR93024	4- (4-Iodophenyl) butan-2-one
OR1052975-01	1-Bromo-4- (4-iodophenyl) 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
OR927253	4- (4-Methylphenyl) butan-2-one
OR1052502-01	4- (4-Chlorophenyl) butan-2-one