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2-Bromo-3-fluorobenzamide

CAT: 0127-PC1004711-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1004711-01Size:100 mg
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CAS Number
132715-70-9
MDL Number
MFCD13185360
Purity
97%
Smiles
O=C(N)C1=CC=CC(F)=C1Br

Chemical Information

2-Bromo-3-fluorobenzamide
CAS Number132715-70-9
PubChem CID15691442
IUPAC Name2-bromo-3-fluorobenzamide
Molecular FormulaC7H5BrFNO
Molecular Weight218.02
XLogP1.6
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity165
SMILES
C1=CC(=C(C(=C1)F)Br)C(=O)N
InChI
InChI=1S/C7H5BrFNO/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H2,10,11)
InChIKey
QIJLTAHMKMBLRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-3-fluorobenzamide
CAS: 132715-70-9
CID: 15691442
Formula: C7H5BrFNO
MW: 218.02
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.02
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass216.95385
Monoisotopic Mass216.95385
Topological Polar Surface Area43.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity165
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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