3-Iodo-4-methylstyrene

HCID 19688424

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Basic information

CAS: 165803-90-7
Standard SMILES: C=Cc1ccc(C)c(I)c1
InChIKey: CTSQKIBZLLPKFS-UHFFFAOYSA-N
Molecular formula: C9H9I
Average molar mass: 244.07 g/mol
Monoisotopic mass: 243.97489829

Names & identifiers

Preferred name: 3-Iodo-4-methylstyrene
IUPAC: 4-ethenyl-2-iodo-1-methylbenzene

Names & synonyms

3-iodo-4-methylstyrene165803-90-74-ethenyl-2-iodo-1-methylbenzeneBenzene, 4-ethenyl-2-iodo-1-methyl-SCHEMBL6618349CTSQKIBZLLPKFS-UHFFFAOYSA-NDTXSID401302433DB-294370

Database identifiers

CAS: 165803-90-7
PubChem CID: 19688424
DTXSID: DTXSID401302433

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 120

Related reactions

1 records

New reaction record

HRID 2974As productuspto-grants-1998_03

Compound notes

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