methyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylate

HCID 17859014CAS 441717-61-9

基本情報

標準SMILES: COC(=O)c1nn(Cc2ccc(OC)cc2)c2ccccc12
InChIKey: APGOKZLDEQLDRR-UHFFFAOYSA-N
分子式: C17H16N2O3
平均分子量: 296.32 g/mol
単同位体質量: 296.11609238

名称と識別子

優先名称: methyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylate
IUPAC: methyl 1-[(4-methoxyphenyl)methyl]indazole-3-carboxylate

名称と別名

441717-61-9methyl 1-[(4-methoxyphenyl)methyl]-1H-indazole-3-carboxylatemethyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylateRefChem:812513807-255-4Methyl 1-(4-methoxybenzyl)-1H-indazole-3-carboxylatemethyl 1-[(4-methoxyphenyl)methyl]indazole-3-carboxylateSCHEMBL2433523CHEMBL5492601APGOKZLDEQLDRR-UHFFFAOYSA-NRSA71761MFCD28098250

名称をさらに表示

AKOS024255741SS-4825DB-187604methyl 1-(4-methoxybenzyl)-3-indazolylcarboxylate

データベース識別子

CAS: 441717-61-9
PubChem CID: 17859014
ChEMBL: CHEMBL5492601
EC Number: 807-255-4

物性

構造計算による物性

XLogP: 3.3
極性表面積: 53.4 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 5
重原子数: 22
形式電荷: 0
複雑度: 382

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.