CAS 1202889-58-4 Ethyl-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylate (HCID 53393319)

基本情報

CAS: 1202889-58-4
標準SMILES: CCOC(=O)C1CCOc2cc(O)c(Cl)cc21
InChIKey: RXVPHMIRHIHSOQ-UHFFFAOYSA-N
分子式: C12H13ClO4
平均分子量: 256.68 g/mol

名称と識別子

優先名称: 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
英語名: Ethyl-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylate
分子式: C12H13ClO4
分子量: 256.68

名称と別名

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.5
極性表面積: 55.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 17
形式電荷: 0
複雑度: 284

安全と法規制

GHS分類

GHS Classification · 4 件

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.