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8-amino-5-chloro-3,4-dihydro-7-fluoro-2H-1-benzopyran

HCID 22404792
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1c(F)cc(Cl)c2c1OCCC2
InChIKey
UGFWYBJPZLDYCJ-UHFFFAOYSA-N
Molecular formula
C9H9ClFNO
Average molar mass
201.62 g/mol

Names & identifiers

Preferred name
8-amino-5-chloro-3,4-dihydro-7-fluoro-2H-1-benzopyran
IUPAC
5-chloro-7-fluoro-3,4-dihydro-2H-chromen-8-amine

Names & synonyms

SCHEMBL8948549UGFWYBJPZLDYCJ-UHFFFAOYSA-N8-amino-5-chloro-3,4-dihydro-7-fluoro-2H-1-benzopyran

Database identifiers

PubChem CID
22404792

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Formal charge
0
Complexity
192

Related reactions

4 records
New reaction record
HRID 296040 reaction equation
HRID 296040As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 440688 reaction equation
HRID 440688As productuspto-grants-1996_05
HRID 440689 reaction equation
HRID 440689As reactantuspto-grants-1996_05
HRID 1153663 reaction equation
HRID 1153663As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes