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2-Amino-4'-bromobenzophenone

CAT: 0013-GTR19250944-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250944-01Size:100 mg
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Description
2-Amino-4'-bromobenzophenone
CAS Number
1140-17-6
Purity
98.00% (May vary between batches)
Smiles
Nc1ccccc1C (=O) c1ccc (Br) cc1
Molecular Formula
C13H10BrNO
Molecular Weight
276.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Amino-4'-bromobenzophenone
CAS Number1140-17-6
PubChem CID5243931
IUPAC Name(2-aminophenyl)-(4-bromophenyl)methanone
Molecular FormulaC13H10BrNO
Molecular Weight276.13
XLogP4
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity248
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C13H10BrNO/c14-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)15/h1-8H,15H2
InChIKey
WIISOMGJWLLMDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-4'-bromobenzophenone
CAS: 1140-17-6
CID: 5243931
Formula: C13H10BrNO
MW: 276.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight276.13
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass274.99458
Monoisotopic Mass274.99458
Topological Polar Surface Area43.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity248
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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