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2-Nitrofluorene

CAT: 0926-FN62381-05Size: 25000 gDry Ice: NoHazardous: No
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CAT#:0926-FN62381-05Size:25000 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
607-57-8
MDL Number
MFCD00001117
Smiles
C1C2=CC=CC=C2C3=C1C=C (C=C3) [N+] (=O) [O-]
Molecular Formula
C13H9NO2
Molecular Weight
211.22 g/mol
Controlled
No

Chemical Information

2-Nitrofluorene

2-Nitrofluorene can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number607-57-8
PubChem CID11831
IUPAC Name2-nitro-9H-fluorene
Molecular FormulaC13H9NO2
Molecular Weight211.22
XLogP3.7
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity286
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKey
XFOHWECQTFIEIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Nitrofluorene
CAS: 607-57-8
CID: 11831
Formula: C13H9NO2
MW: 211.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight211.22
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass211.063328530
Monoisotopic Mass211.063328530
Topological Polar Surface Area45.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity286
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