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Flunitrazepam EP Impurity C

CAT: 1596-AR-F09387-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
2512213-47-5
API Name
Flunitrazepam

Chemical Information

3-Amino-4-(2-fluorophenyl)-1-methyl-6-nitroquinolin-2(1H)-one
CAS Number2512213-47-5
PubChem CID132427730
IUPAC Name3-amino-4-(2-fluorophenyl)-1-methyl-6-nitroquinolin-2-one
Molecular FormulaC16H12FN3O3
Molecular Weight313.28
XLogP2.2
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity545
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C(C1=O)N)C3=CC=CC=C3F
InChI
InChI=1S/C16H12FN3O3/c1-19-13-7-6-9(20(22)23)8-11(13)14(15(18)16(19)21)10-4-2-3-5-12(10)17/h2-8H,18H2,1H3
InChIKey
UOVQULTZRCIIOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-4-(2-fluorophenyl)-1-methyl-6-nitroquinolin-2(1H)-one
CAS: 2512213-47-5
CID: 132427730
Formula: C16H12FN3O3
MW: 313.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.28
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass313.08626942
Monoisotopic Mass313.08626942
Topological Polar Surface Area92.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity545
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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