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3-Fluoro-3,3-dinitropropanol

HCID 13615388
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=[N+]([O-])C(F)(CCO)[N+](=O)[O-]
InChIKey
DPTHEDXXVBIDSM-UHFFFAOYSA-N
Molecular formula
C3H5FN2O5
Average molar mass
168.08 g/mol

Names & identifiers

Preferred name
3-Fluoro-3,3-dinitropropanol
IUPAC
3-fluoro-3,3-dinitropropan-1-ol

Names & synonyms

3-fluoro-3,3-dinitropropanolDPTHEDXXVBIDSM-UHFFFAOYSA-N3-fluoro-3,3-dinitro-1-propanol

Database identifiers

PubChem CID
13615388

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
112 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
158

Related reactions

1 records
New reaction record
HRID 231917 reaction equation
HRID 231917As reactantuspto-grants-1989_07

Compound notes

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