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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 62044921Generated: October 24, 2026

1-[(E)-3-(3,4-Dichloro-phenyl)-acryloyl]-[1,4]diazepan-5-one

https://huagongshe.com/en/chemical/62044921

1-[(E)-3-(3,4-Dichloro-phenyl)-acryloyl]-[1,4]diazepan-5-one molecular structure

Identifiers & Physical Properties

Molecular formulaC14H14Cl2N2O2
Average molar mass313.2 g/mol
SMILESO=C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CCN1
InChIKeyHTJFERSPZLONLM-DUXPYHPUSA-N
PubChem CID62044921

Chemical & Physical Properties

XLogP2.1
Topological polar surface area49.4
Hydrogen bond donors1
Hydrogen bond acceptors2
Rotatable bonds2
Heavy atoms20
Formal charge0
Complexity401