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4-(3,4-Difluorophenyl)-1,3-oxazolidin-2-one

HCID 22048746
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
225641-91-8
Standard SMILES
O=C1NC(c2ccc(F)c(F)c2)CO1
InChIKey
AIWCAYRHYGGWKF-UHFFFAOYSA-N
Molecular formula
C9H7F2NO2
Average molar mass
199.15 g/mol
Monoisotopic mass
199.0444849

Names & identifiers

Preferred name
4-(3,4-Difluorophenyl)-1,3-oxazolidin-2-one
IUPAC
4-(3,4-difluorophenyl)-1,3-oxazolidin-2-one

Names & synonyms

225641-91-84-(3,4-Difluorophenyl)oxazolidin-2-one4-(3,4-difluorophenyl)-1,3-oxazolidin-2-one(+)-4-(3,4-difluorophenyl)-oxazolidin-2-oneSCHEMBL1438948SCHEMBL29662110AIWCAYRHYGGWKF-UHFFFAOYSA-NDTXSID001281920AKOS0149239044-(3,4-difluorophenyl)-2-oxazolidinone4-(3,4-difluorophenyl)-oxazolidin-2-oneCS-0349759
Show more names
(+)-4- (3,4-difluorophenyl)-oxazolidin-2-oneEN300-1680980

Database identifiers

CAS
225641-91-8
PubChem CID
22048746
DTXSID
DTXSID001281920

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
237

Related reactions

15 records
New reaction record
HRID 150827 reaction equation
HRID 150827As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 164561 reaction equation
HRID 164561As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 278901 reaction equation
HRID 278901As productuspto-grants-2002_03
HRID 278902 reaction equation
HRID 278902As reactantuspto-grants-2002_03
HRID 324311 reaction equation
HRID 324311As productuspto-grants-2001_04
HRID 324312 reaction equation
HRID 324312As reactantuspto-grants-2001_04
HRID 946974 reaction equation
HRID 946974As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1167687 reaction equation
HRID 1167687As productuspto-grants-2003_09
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Compound notes

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