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2,3-Naphthalenedicarboximide

CAT: 0572-TRC-N377693-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N377693-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4379-54-8
Synonyms
1,3-ββ-Isonaphthazoledione; 2,3-Naphthalimide; Benzo[f]isoindole-1,3-dione; NSC 343623; Naphthalene-2,3-dicarboxylic Acid Imide; Naphtho[2,3-c]pyrrole-1,3(2H)-dione;
Hazard Statement
No Data Available
Smiles
O=C1NC(=O)C2=CC=3C=CC=CC3C=C12
Molecular Formula
C12H7NO2
Molecular Weight
197.19
InChI
InChI=1S/C12H7NO2/c14-11-9-5-7-3-1-2-4-8(7)6-10(9)12(15)13-11/h1-6H,(H,13,14,15)
Additionnal Information
IUPAC name: 1H-benzo[f]isoindole-1,3(2H)-dione
Shipping Conditions
Room Temperature

Chemical Information

2,3-Naphthalenedicarboximide
CAS Number4379-54-8
PubChem CID335194
IUPAC Namebenzo[f]isoindole-1,3-dione
Molecular FormulaC12H7NO2
Molecular Weight197.19
XLogP2.4
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity283
SMILES
C1=CC=C2C=C3C(=CC2=C1)C(=O)NC3=O
InChI
InChI=1S/C12H7NO2/c14-11-9-5-7-3-1-2-4-8(7)6-10(9)12(15)13-11/h1-6H,(H,13,14,15)
InChIKey
ODBPKBWAGSAZBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Naphthalenedicarboximide
CAS: 4379-54-8
CID: 335194
Formula: C12H7NO2
MW: 197.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.19
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass197.047678466
Monoisotopic Mass197.047678466
Topological Polar Surface Area46.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity283
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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