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N- (4-bromophenyl) urea

CAT: 0024-sc-279567Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-279567Size:1 g
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CAS Number
001967-25-5

Chemical Information

N-(4-Bromophenyl)urea
CAS Number1967-25-5
PubChem CID16074
IUPAC Name(4-bromophenyl)urea
Molecular FormulaC7H7BrN2O
Molecular Weight215.05
XLogP2
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity143
SMILES
C1=CC(=CC=C1NC(=O)N)Br
InChI
InChI=1S/C7H7BrN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
PFQUUCXMPUNRLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-Bromophenyl)urea
CAS: 1967-25-5
CID: 16074
Formula: C7H7BrN2O
MW: 215.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight215.05
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass213.97418
Monoisotopic Mass213.97418
Topological Polar Surface Area55.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity143
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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