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2-Bromo-6-fluorophenylurea

CAT: 0127-PC501546Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC501546Size:1 Each
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CAS Number
1503129-12-1
MDL Number
MFCD26686600
Purity
=95%
Smiles
NC(=O)Nc1c(F)cccc1Br

Chemical Information

N-(2-Bromo-6-fluorophenyl)urea
CAS Number1503129-12-1
PubChem CID83403334
IUPAC Name(2-bromo-6-fluorophenyl)urea
Molecular FormulaC7H6BrFN2O
Molecular Weight233.04
XLogP0.4
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity179
SMILES
C1=CC(=C(C(=C1)Br)NC(=O)N)F
InChI
InChI=1S/C7H6BrFN2O/c8-4-2-1-3-5(9)6(4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKey
LBOYYHKJBQJANI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Bromo-6-fluorophenyl)urea
CAS: 1503129-12-1
CID: 83403334
Formula: C7H6BrFN2O
MW: 233.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.04
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass231.96475
Monoisotopic Mass231.96475
Topological Polar Surface Area55.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity179
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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