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2-Amino-2'-fluoro-5-nitrobenzophenone

CAT: 0024-sc-352199Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-352199Size:1 g
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CAS Number
344-80-9

Chemical Information

2-Amino-2'-fluoro-5-nitrobenzophenone
CAS Number344-80-9
PubChem CID67657
IUPAC Name(2-amino-5-nitrophenyl)-(2-fluorophenyl)methanone
Molecular FormulaC13H9FN2O3
Molecular Weight260.22
XLogP3.1
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity358
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N)F
InChI
InChI=1S/C13H9FN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2
InChIKey
ZTEHQPVGEHUXHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-2'-fluoro-5-nitrobenzophenone
CAS: 344-80-9
CID: 67657
Formula: C13H9FN2O3
MW: 260.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.22
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass260.05972032
Monoisotopic Mass260.05972032
Topological Polar Surface Area88.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity358
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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