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4-Acetamido-2-chloroacetophenone

CAT: 0127-OR1102601-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1102601-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
140-49-8
MDL Number
MFCD00040869
Purity
95%
Smiles
CC (NC1=CC=C (C (CCl) =O) C=C1) =O

Chemical Information

4'-Chloroacetyl(acetanilide)

4'-(chloroacetyl)acetanilide is an alpha-chloroketone that is acetanilide in the para- position is substituted by a chloroacetyl group. It is a member of acetamides, an alpha-chloroketone and an aromatic ketone.

CAS Number140-49-8
PubChem CID8805
IUPAC NameN-[4-(2-chloroacetyl)phenyl]acetamide
Molecular FormulaC10H10ClNO2
Molecular Weight211.64
XLogP1.9
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity222
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)CCl
InChI
InChI=1S/C10H10ClNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5H,6H2,1H3,(H,12,13)
InChIKey
VMMDOCYDNRLESP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Chloroacetyl(acetanilide)
CAS: 140-49-8
CID: 8805
Formula: C10H10ClNO2
MW: 211.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.64
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass211.0400063
Monoisotopic Mass211.0400063
Topological Polar Surface Area46.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity222
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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