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2-Bromo-2- (4-fluorophenyl) acetamide

CAT: 0926-BKA36632-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-BKA36632-01Size:250 mg
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CAS Number
251366-32-2
MDL Number
MFCD08444283
Smiles
C1=CC (=CC=C1C (C (=O) N) Br) F
Molecular Formula
C8H7BrFNO
Molecular Weight
232.05 g/mol
Controlled
No

Chemical Information

2-Bromo-2-(4-fluorophenyl)acetamide
CAS Number251366-32-2
PubChem CID10966358
IUPAC Name2-bromo-2-(4-fluorophenyl)acetamide
Molecular FormulaC8H7BrFNO
Molecular Weight232.05
XLogP1.7
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity168
SMILES
C1=CC(=CC=C1C(C(=O)N)Br)F
InChI
InChI=1S/C8H7BrFNO/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7H,(H2,11,12)
InChIKey
FDWUBKJXMHZBKT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-2-(4-fluorophenyl)acetamide
CAS: 251366-32-2
CID: 10966358
Formula: C8H7BrFNO
MW: 232.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight232.05
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass230.96950
Monoisotopic Mass230.96950
Topological Polar Surface Area43.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity168
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