1- (2,4-dibromophenyl) -1-Propanone

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CAS Number

347886-52-6

MDL Number

MFCD18394581

Smiles

C (=O) (CC) c1c (Br) cc (Br) cc1

Chemical Information

1-(2,4-Dibromophenyl)propan-1-one

CAS Number	347886-52-6
PubChem CID	18430756
IUPAC Name	1-(2,4-dibromophenyl)propan-1-one
Molecular Formula	C9H8Br2O
Molecular Weight	291.97
XLogP	3.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	170

SMILES

CCC(=O)C1=C(C=C(C=C1)Br)Br

InChI

InChI=1S/C9H8Br2O/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3

InChIKey

QMTXPFBQZXOEHI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 347886-52-6

CID: 18430756

Formula: C9H8Br2O

MW: 291.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.97
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	291.89214
Monoisotopic Mass	289.89419
Topological Polar Surface Area	17.1 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

Catalog	Name
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OR1088142-01	1- (3,4-Dibromophenyl) -2-methyl-1-propanone
OR1084868-01	1- (2,5-Dibromophenyl) -2-methyl-1-propanone
OR1100944-01	1- (3,5-Dibromophenyl) -1-propanone
OR1101132-01	1- (3,5-Dibromophenyl) -2-methyl-1-propanone
OR1099631-01	2- (2,4-dibromophenyl) -1,3-dioxolane
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OR1085831-01	1- (2,4-Diethylphenyl) -1-propanone
OR77245-01	1- (3,4-Dibromophenyl) ethanone
OR1044396-01	2- (2,4-Dibromophenyl) acetonitrile

Catalog	Name
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