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2-Fluoro-5-methoxycarbonyloxyaniline (HCID 21701569)|Huagongshe
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Compound
2-Fluoro-5-methoxycarbonyloxyaniline
HCID
21701569
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COC(=O)Oc1ccc(F)c(N)c1
InChIKey
VVPLYKZRCBRJEK-UHFFFAOYSA-N
Molecular formula
C8H8FNO3
Average molar mass
185.15 g/mol
Names & identifiers
Preferred name
2-Fluoro-5-methoxycarbonyloxyaniline
IUPAC
(3-amino-4-fluorophenyl) methyl carbonate
Names & synonyms
SCHEMBL7865611
VVPLYKZRCBRJEK-UHFFFAOYSA-N
2-fluoro-5-methoxycarbonyloxyaniline
Database identifiers
PubChem CID
21701569
Properties
Computed structural properties
XLogP
1.5
Topological polar surface area
61.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
188
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Related reactions
4 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
212389
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
1220214
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1596242
As product
uspto-grants-2001_09
HRID
1596243
As reactant
uspto-grants-2001_09
Compound notes
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