1-Benzyl-3,5-dibromobenzene

HCID 258447

Notes Reactions

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Basic information

CAS: 71572-36-6
Standard SMILES: Brc1cc(Br)cc(Cc2ccccc2)c1
InChIKey: VUWKGSUXPFUDGQ-UHFFFAOYSA-N
Molecular formula: C13H10Br2
Average molar mass: 326.03 g/mol
Monoisotopic mass: 323.91493

Names & identifiers

Preferred name: 1-Benzyl-3,5-dibromobenzene
IUPAC: 1-benzyl-3,5-dibromobenzene

Names & synonyms

1-benzyl-3,5-dibromobenzene71572-36-6NSC87361NCIOpen2_0094303-Bromo-5-benzyl-bromobenzene1-benzyl-3,5-dibromo-benzeneSCHEMBL6481288DTXSID20293134VUWKGSUXPFUDGQ-UHFFFAOYSA-NMFCD20269975NSC-87361DA-03338

Show more names

CS-0190578E91925F628573

Database identifiers

CAS: 71572-36-6
PubChem CID: 258447
DTXSID: DTXSID20293134

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 177

Related reactions

1 records

New reaction record

HRID 117105As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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