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4-Bromo-2-{[(3,5-dichlorophenyl)amino]methyl}phenol

HCID 677297
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Oc1ccc(Br)cc1CNc1cc(Cl)cc(Cl)c1
InChIKey
DLEAMTFAGKHVJR-UHFFFAOYSA-N
Molecular formula
C13H10BrCl2NO
Average molar mass
347 g/mol

Names & identifiers

Preferred name
4-Bromo-2-{[(3,5-dichlorophenyl)amino]methyl}phenol
IUPAC
4-bromo-2-[(3,5-dichloroanilino)methyl]phenol

Names & synonyms

298215-62-04-bromo-2-{[(3,5-dichlorophenyl)amino]methyl}phenol4-bromo-2-[(3,5-dichloroanilino)methyl]benzenol4-bromo-2-[(3,5-dichloroanilino)methyl]phenol4-Bromo-2-(((3,5-dichlorophenyl)amino)methyl)phenolOprea1_442365SCHEMBL331315CHEMBL507038DLEAMTFAGKHVJR-UHFFFAOYSA-NSTK900588AKOS003684868JS-0818
Show more names
CS-0333303AA-768/33248002N-[(5 Bromo-2-hydroxyphenyl)methyl]-3,5-dichloroanilineN-[(5-Bromo-2-hydroxyphenyl)methyl]-3,5-dichloroaniline

Database identifiers

PubChem CID
677297
ChEMBL
CHEMBL507038

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
32.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
259

Related reactions

3 records
New reaction record
HRID 421015 reaction equation
HRID 421015As productuspto-grants-2012_01
HRID 673668 reaction equation
HRID 673668As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2384318 reaction equation
HRID 2384318As productuspto-grants-2012_09

Compound notes

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