HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

(4-Bromo-2-chloro-phenyl)-(2-fluoro-5-hydroxy-phenyl)-methanone

HCID 67314566
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1cc(O)ccc1F)c1ccc(Br)cc1Cl
InChIKey
JANOWDYPXWWQPD-UHFFFAOYSA-N
Molecular formula
C13H7BrClFO2
Average molar mass
329.55 g/mol

Names & identifiers

Preferred name
(4-Bromo-2-chloro-phenyl)-(2-fluoro-5-hydroxy-phenyl)-methanone
IUPAC
(4-bromo-2-chlorophenyl)-(2-fluoro-5-hydroxyphenyl)methanone

Names & synonyms

SCHEMBL2199862JANOWDYPXWWQPD-UHFFFAOYSA-N(4-Bromo-2-chloro-phenyl)-(2-fluoro-5-hydroxy-phenyl)-methanone

Database identifiers

PubChem CID
67314566

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
315

Related reactions

5 records
New reaction record
HRID 103839 reaction equation
HRID 103839As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 835361 reaction equation
HRID 835361As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1012654 reaction equation
HRID 1012654As productuspto-grants-2011_07
HRID 1012655 reaction equation
HRID 1012655As reactantuspto-grants-2011_07
HRID 1012659 reaction equation
HRID 1012659As reactantuspto-grants-2011_07

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes