Mls003170942

HCID 334196

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Basic information

CAS: 57527-44-3
Standard SMILES: O=C1OC(C(Cl)(Cl)Cl)Nc2ccccc21
InChIKey: YDDGICZDOHSNKP-UHFFFAOYSA-N
Molecular formula: C9H6Cl3NO2
Average molar mass: 266.5 g/mol
Monoisotopic mass: 264.946412

Names & identifiers

Preferred name: Mls003170942
IUPAC: 2-(trichloromethyl)-1,2-dihydro-3,1-benzoxazin-4-one

Names & synonyms

MLS00317094257527-44-3DTXSID20319025RefChem:357338DTXCID802701482-(trichloromethyl)-1,2-dihydro-4H-3,1-benzoxazin-4-oneNSC338585NSC-338585SMR001874856

Database identifiers

CAS: 57527-44-3
PubChem CID: 334196
DTXSID: DTXSID20319025

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 267

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