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CAT: 0607-BA3146-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3146-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
349106-80-5
Form
A solid
Molecular Formula
C8H5Cl3FNO
Molecular Weight
256.49
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

2,2-dichloro-N-(3-chloro-4-fluorophenyl)acetamide
CAS Number349106-80-5
PubChem CID4322881
IUPAC Name2,2-dichloro-N-(3-chloro-4-fluorophenyl)acetamide
Molecular FormulaC8H5Cl3FNO
Molecular Weight256.5
XLogP3.5
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity215
SMILES
C1=CC(=C(C=C1NC(=O)C(Cl)Cl)Cl)F
InChI
InChI=1S/C8H5Cl3FNO/c9-5-3-4(1-2-6(5)12)13-8(14)7(10)11/h1-3,7H,(H,13,14)
InChIKey
WZVDWCGCAQYINC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-dichloro-N-(3-chloro-4-fluorophenyl)acetamide
CAS: 349106-80-5
CID: 4322881
Formula: C8H5Cl3FNO
MW: 256.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight256.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass254.942075
Monoisotopic Mass254.942075
Topological Polar Surface Area29.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity215
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