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6-Nitronaphthalen-2-amine

CAT: 0127-OR1066557-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1066557-01Size:100 mg
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CAS Number
3230-35-1
MDL Number
MFCD00046485
Purity
96%
Smiles
NC1=CC=C2C=C([N+]([O-])=O)C=CC2=C1

Chemical Information

6-Nitronaphthalen-2-amine
CAS Number3230-35-1
PubChem CID458998
IUPAC Name6-nitronaphthalen-2-amine
Molecular FormulaC10H8N2O2
Molecular Weight188.18
XLogP2.6
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity227
SMILES
C1=CC2=C(C=CC(=C2)[N+](=O)[O-])C=C1N
InChI
InChI=1S/C10H8N2O2/c11-9-3-1-8-6-10(12(13)14)4-2-7(8)5-9/h1-6H,11H2
InChIKey
LNYJXDMWSMEVGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Nitronaphthalen-2-amine
CAS: 3230-35-1
CID: 458998
Formula: C10H8N2O2
MW: 188.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.18
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass188.058577502
Monoisotopic Mass188.058577502
Topological Polar Surface Area71.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity227
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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