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4-Bromo-2-fluorobenzamide

CAT: 0572-TRC-B680315-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B680315-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
292621-45-5
Hazard Statement
No Data Available
Smiles
NC(=O)c1ccc(Br)cc1F
Molecular Formula
C7H5BrFNO
Molecular Weight
218.02
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Bromo-2-fluorobenzamide
CAS Number292621-45-5
PubChem CID2773331
IUPAC Name4-bromo-2-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=C1Br)F)C(=O)N
InChI
InChI=1S/C7H5BrFNO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
InChIKey
MJDRFCPNHLHNON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-fluorobenzamide
CAS: 292621-45-5
CID: 2773331
Formula: C7H5BrFNO
MW: 218.02
Interactive 3D Structure
Loading 3D structure...
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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