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2-Bromo-3',4'-dichloroacetophenone

CAT: 0926-FB64514Size: 0.025 kgDry Ice: NoHazardous: No
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CAT#:0926-FB64514Size:0.025 kg
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CAS Number
2632-10-2
Synonyms
2-Bromo-1- (3,4-dichlorophenyl) ethanone
MDL Number
MFCD00051581
Smiles
ClC1=CC=C (C=C1Cl) C (CBr) =O
Molecular Formula
C8H5BrCl2O
Molecular Weight
267.93 g/mol
Controlled
No

Chemical Information

2-Bromo-1-(3,4-dichlorophenyl)ethanone
CAS Number2632-10-2
PubChem CID244751
IUPAC Name2-bromo-1-(3,4-dichlorophenyl)ethanone
Molecular FormulaC8H5BrCl2O
Molecular Weight267.93
XLogP3.9
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity174
SMILES
C1=CC(=C(C=C1C(=O)CBr)Cl)Cl
InChI
InChI=1S/C8H5BrCl2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2
InChIKey
PAKFHEFMTRCFAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-1-(3,4-dichlorophenyl)ethanone
CAS: 2632-10-2
CID: 244751
Formula: C8H5BrCl2O
MW: 267.93
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight267.93
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass265.89008
Monoisotopic Mass265.89008
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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