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4-Fluoro-7-nitro-indoline

CAT: 0127-PC102243-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC102243-01Size:100 mg
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CAS Number
1167056-12-3
MDL Number
MFCD12405174
Purity
97%
Smiles
C1=C(C2=C(C(=C1)[N+](=O)[O-])NCC2)F

Chemical Information

4-fluoro-7-nitro-2,3-dihydro-1H-indole
CAS Number1167056-12-3
PubChem CID53399628
IUPAC Name4-fluoro-7-nitro-2,3-dihydro-1H-indole
Molecular FormulaC8H7FN2O2
Molecular Weight182.15
XLogP1.9
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity219
SMILES
C1CNC2=C(C=CC(=C21)F)[N+](=O)[O-]
InChI
InChI=1S/C8H7FN2O2/c9-6-1-2-7(11(12)13)8-5(6)3-4-10-8/h1-2,10H,3-4H2
InChIKey
PAVIDRYITUVQFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-fluoro-7-nitro-2,3-dihydro-1H-indole
CAS: 1167056-12-3
CID: 53399628
Formula: C8H7FN2O2
MW: 182.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.15
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass182.04915563
Monoisotopic Mass182.04915563
Topological Polar Surface Area57.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity219
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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Alternative Products

CatalogName
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abx183814-017-Fluoro-6-Nitro Quinazolinone
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