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3-Bromophenylurea

CAT: 0926-FB170058-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FB170058-02Size:25 g
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CAS Number
2989-98-2
MDL Number
MFCD00041317
Smiles
C1=CC (=CC (=C1) Br) NC (=O) N
Controlled
No

Chemical Information

3-Bromophenylurea
CAS Number2989-98-2
PubChem CID18129
IUPAC Name(3-bromophenyl)urea
Molecular FormulaC7H7BrN2O
Molecular Weight215.05
XLogP2.1
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity151
SMILES
C1=CC(=CC(=C1)Br)NC(=O)N
InChI
InChI=1S/C7H7BrN2O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
DHMRSMNEKFDABI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromophenylurea
CAS: 2989-98-2
CID: 18129
Formula: C7H7BrN2O
MW: 215.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.05
XLogP32.1
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
Complexity151
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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