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4'-Bromo-2'-chloroacetanilide

CAT: 0024-sc-267838Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-267838Size:25 g
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CAS Number
3460-23-9

Chemical Information

4'-Bromo-2'-chloroacetanilide
CAS Number3460-23-9
PubChem CID610167
IUPAC NameN-(4-bromo-2-chlorophenyl)acetamide
Molecular FormulaC8H7BrClNO
Molecular Weight248.50
XLogP2.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity176
SMILES
CC(=O)NC1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C8H7BrClNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
InChIKey
MITWNEIUIPGZKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Bromo-2'-chloroacetanilide
CAS: 3460-23-9
CID: 610167
Formula: C8H7BrClNO
MW: 248.50
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.50
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass246.93995
Monoisotopic Mass246.93995
Topological Polar Surface Area29.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity176
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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