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4-Benzyloxy-3-bromophenylamine

HCID 22017737
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Basic information

Standard SMILES
Nc1ccc(OCc2ccccc2)c(Br)c1
InChIKey
CWOYDLZVKUVCEH-UHFFFAOYSA-N
Molecular formula
C13H12BrNO
Average molar mass
278.14 g/mol
Monoisotopic mass
277.01023

Names & identifiers

Preferred name
4-Benzyloxy-3-bromophenylamine
IUPAC
3-bromo-4-phenylmethoxyaniline

Names & synonyms

320337-15-34-(benzyloxy)-3-bromoaniline4-Benzyloxy-3-bromophenylamine3-bromo-4-phenylmethoxyaniline4-Benzyloxy-3-bromo-phenylamine4-(benzyloxy)-3-bromobenzenamineSCHEMBL2877893CWOYDLZVKUVCEH-UHFFFAOYSA-N4-amino-1-benzyloxy-2-bromobenzeneAKOS010990151AT13097DB-339818
Show more names
EN300-146420A1-03556

Database identifiers

PubChem CID
22017737

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
206

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Related reactions

5 records
New reaction record
HRID 144392 reaction equation
HRID 144392As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 287710 reaction equation
HRID 287710As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 669043 reaction equation
HRID 669043As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1157155 reaction equation
HRID 1157155As productuspto-grants-2010_10
HRID 1157156 reaction equation
HRID 1157156As reactantuspto-grants-2010_10

Compound notes

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