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Pentane, 5-fluoro-1-nitro-

HCID 67799
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
373-07-9
Standard SMILES
O=[N+]([O-])CCCCCF
InChIKey
JRTRQULVYPRLDA-UHFFFAOYSA-N
Molecular formula
C5H10FNO2
Average molar mass
135.14 g/mol
Monoisotopic mass
135.06955672

Names & identifiers

Preferred name
Pentane, 5-fluoro-1-nitro-
IUPAC
1-fluoro-5-nitropentane

Names & synonyms

Pentane, 5-fluoro-1-nitro-5-Fluoro-1-nitropentaneBRN 1753525373-07-9DTXSID701907404-01-00-00318 (Beilstein Handbook Reference)RefChem:368100DTXCID101132311-fluoro-5-nitropentaneSCHEMBL1415089SCHEMBL7168787

Database identifiers

CAS
373-07-9
PubChem CID
67799
DTXSID
DTXSID70190740
Nikkaji
J49.939K

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
9
Formal charge
0
Complexity
81.5

Related reactions

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Compound notes

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