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9-Ethynyl-9H-fluoren-1-yl hydrogen carbonimidate

HCID 3053333
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Basic information

CAS
69796-03-8
Standard SMILES
C#CC1c2ccccc2-c2cccc(OC(N)=O)c21
InChIKey
QGXUMBKNLQCFCA-UHFFFAOYSA-N
Molecular formula
C16H11NO2
Average molar mass
249.26 g/mol
Monoisotopic mass
249.07897859

Names & identifiers

Preferred name
9-Ethynyl-9H-fluoren-1-yl hydrogen carbonimidate
IUPAC
(9-ethynyl-9H-fluoren-1-yl) carbamate

Names & synonyms

69796-03-8DTXSID509900489-Ethynyl-9H-fluoren-1-yl hydrogen carbonimidateRefChem:1074972DTXCID001417155(9-Ethynyl fluorenyl) carbamateUSAF EL-105Carbamic acid, 9-ethynylfluorenyl ester9H-Fluorenol, 9-ethynyl-, carbamate

Database identifiers

CAS
69796-03-8
PubChem CID
3053333
DTXSID
DTXSID50990048

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
410

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