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3-Nitro-9H-fluoren-2-amine

CAT: 0127-OR80937-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-OR80937-01Size:25 mg
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CAS Number
29005-18-3
MDL Number
MFCD00092019
Purity
97%
Smiles
NC1=CC(CC2=C3C=CC=C2)=C3C=C1[N+]([O-])=O

Chemical Information

3-Nitro-9H-fluoren-2-amine
CAS Number29005-18-3
PubChem CID101590237
IUPAC Name3-nitro-9H-fluoren-2-amine
Molecular FormulaC13H10N2O2
Molecular Weight226.23
XLogP3.2
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity315
SMILES
C1C2=CC=CC=C2C3=CC(=C(C=C31)N)[N+](=O)[O-]
InChI
InChI=1S/C13H10N2O2/c14-12-6-9-5-8-3-1-2-4-10(8)11(9)7-13(12)15(16)17/h1-4,6-7H,5,14H2
InChIKey
JDFGKQNZCKSYQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitro-9H-fluoren-2-amine
CAS: 29005-18-3
CID: 101590237
Formula: C13H10N2O2
MW: 226.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.23
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass226.074227566
Monoisotopic Mass226.074227566
Topological Polar Surface Area71.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity315
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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