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1-Fluoro-4-(1-methoxy-2-methylpropan-2-yl)benzene

HCID 67775875
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COCC(C)(C)c1ccc(F)cc1
InChIKey
OYOWPZPZWHPWKX-UHFFFAOYSA-N
Molecular formula
C11H15FO
Average molar mass
182.23 g/mol
Monoisotopic mass
182.11069326

Names & identifiers

Preferred name
1-Fluoro-4-(1-methoxy-2-methylpropan-2-yl)benzene
IUPAC
1-fluoro-4-(1-methoxy-2-methylpropan-2-yl)benzene

Names & synonyms

1-fluoro-4-(1-methoxy-2-methylpropan-2-yl)benzeneSCHEMBL9108021OYOWPZPZWHPWKX-UHFFFAOYSA-N

Database identifiers

PubChem CID
67775875

Properties

Computed structural properties

XLogP
3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
148

Related reactions

3 records
New reaction record
HRID 511680 reaction equation
HRID 511680As productuspto-grants-2015_08
HRID 1562736 reaction equation
HRID 1562736As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2040718 reaction equation
HRID 2040718As productuspto-grants-2013_11

Compound notes

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