Ethyl-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylate

HCID 53393319

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Grundinformationen

CAS: 1202889-58-4
Standard-SMILES: CCOC(=O)C1CCOc2cc(O)c(Cl)cc21
InChIKey: RXVPHMIRHIHSOQ-UHFFFAOYSA-N
Summenformel: C12H13ClO4
Durchschnittliche Molmasse: 256,68 g/mol

Namen und Bezeichner

Bevorzugter Name: Ethyl-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylate
IUPAC: ethyl 6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylate
Englischer Name: Ethyl-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylate
Summenformel: C12H13ClO4
Molmasse: 256.68

Namen und Synonyme

1202889-58-4ethyl 6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylateEthyl-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylateSCHEMBL1569915RXVPHMIRHIHSOQ-UHFFFAOYSA-NAKOS015904472DB-430405Ethyl 6-chloro-3,4-dihydro-7-hydroxy-2H-1-benzopyran-4-carboxylateethyl 6-chloro-7-hydroxychroman-4-carboxylate6-chloro-2-ethyl-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-carboxylate2H-1-Benzopyran-4-carboxylic acid, 6-chloro-3,4-dihydro-7-hydroxy-, ethyl ester

Datenbank-Bezeichner

CAS: 1202889-58-4
PubChem CID: 53393319
EC Number: 802-446-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 284

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.