CAS 561700-61-6 1H-Indazole-5-carboxylic acid (HCID 4248454)

基本情報

CAS: 561700-61-6
標準SMILES: O=C(O)c1ccc2[nH]ncc2c1
InChIKey: MAVGBUDLHOOROM-UHFFFAOYSA-N
分子式: C8H6N2O2
平均分子量: 162.15 g/mol
単同位体質量: 162.04292743

名称と識別子

優先名称: 1H-Indazole-5-carboxylic acid
IUPAC: 1H-indazole-5-carboxylic acid
英語名: 1H-Indazole-5-carboxylic acid
分子式: C8H6N2O2
分子量: 162.147

名称と別名

1H-indazole-5-carboxylic AcidRefChem:438543623-467-861700-61-6561700-61-6Indazole-5-carboxylic Acid2H-Indazole-5-carboxylic acidMFCD068045701-H-indazole-5-carboxyle acid1H-5indazolecarboxylic acid5-Indazolecarboxylic acid1H-indazole-5-carboxylicacid

名称をさらに表示

1H-indazole-5carbox5-CARBOXYINDAZOLE1H-indazole-5carboxylic acid1H-5-Indazolecarboxylic AcidSCHEMBL2613801H-indazole-5 carboxylic acidSCHEMBL5174792SCHEMBL30270547

データベース識別子

CAS: 561700-61-6、61700-61-6
PubChem CID: 4248454
DTXSID: DTXSID70971556
EC Number: 623-467-8
Nikkaji: J3.042.964H

物性

構造計算による物性

XLogP: 1.7
極性表面積: 66 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 195

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (15.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.