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2-Chloro-N- (2-fluorophenyl) propanamide

CAT: 0926-FC113991-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FC113991-01Size:500 mg
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CAS Number
160322-25-8
MDL Number
MFCD02662254
Smiles
CC (C (=O) NC1=CC=CC=C1F) Cl
Molecular Formula
C9H9ClFNO
Molecular Weight
201.63 g/mol
Controlled
No

Chemical Information

2-chloro-N-(2-fluorophenyl)propanamide
CAS Number160322-25-8
PubChem CID533078
IUPAC Name2-chloro-N-(2-fluorophenyl)propanamide
Molecular FormulaC9H9ClFNO
Molecular Weight201.62
XLogP2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity188
SMILES
CC(C(=O)NC1=CC=CC=C1F)Cl
InChI
InChI=1S/C9H9ClFNO/c1-6(10)9(13)12-8-5-3-2-4-7(8)11/h2-6H,1H3,(H,12,13)
InChIKey
SCIHVRDPCNXWQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-N-(2-fluorophenyl)propanamide
CAS: 160322-25-8
CID: 533078
Formula: C9H9ClFNO
MW: 201.62
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight201.62
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass201.0356698
Monoisotopic Mass201.0356698
Topological Polar Surface Area29.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes