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2-(3,5-Dibromo-2-isopropoxyphenyl)-1H-pyrrole

HCID 22403067
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Basic information

Standard SMILES
CC(C)Oc1c(Br)cc(Br)cc1-c1ccc[nH]1
InChIKey
QWMANRLSKZDPRX-UHFFFAOYSA-N
Molecular formula
C13H13Br2NO
Average molar mass
359.06 g/mol

Names & identifiers

Preferred name
2-(3,5-Dibromo-2-isopropoxyphenyl)-1H-pyrrole
IUPAC
2-(3,5-dibromo-2-propan-2-yloxyphenyl)-1H-pyrrole

Names & synonyms

SCHEMBL8547458QWMANRLSKZDPRX-UHFFFAOYSA-N2-(3,5-Dibromo-2-isopropoxyphenyl)-1H-pyrrole

Database identifiers

PubChem CID
22403067

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
25 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
250

Related reactions

1 records
New reaction record
HRID 259760 reaction equation
HRID 259760As reactantuspto-grants-1996_06

Compound notes

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