2-(4-Chlorophenyl)-6-hydroxypyrimidine-4-carboxylic acid

HCID 135878882CAS 84660-25-3

基本情報

標準SMILES: O=C(O)c1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1
InChIKey: CKGHKABQBNRCMM-UHFFFAOYSA-N
分子式: C11H7ClN2O3
平均分子量: 250.64 g/mol
単同位体質量: 250.01451976

名称と識別子

優先名称: 2-(4-Chlorophenyl)-6-hydroxypyrimidine-4-carboxylic acid
IUPAC: 2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
英語名: 2-(4-Chloro-phenyl)-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid
分子量: 0

名称と別名

2-(4-chlorophenyl)-6-hydroxypyrimidine-4-carboxylic acidRefChem:457402895-803-384660-25-32-(4-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid2-(4-CHLORO-PHENYL)-6-OXO-1,6-DIHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID2-(4-CHLOROPHENYL)-6-OXO-1H-PYRIMIDINE-4-CARBOXYLIC ACIDstarbld0022415SCHEMBL1535649DTXSID50516545CKGHKABQBNRCMM-UHFFFAOYSA-NJDA66025

名称をさらに表示

2-(4-chlorophenyl)-1,6-dihydro-6-oxo-4-pyrimidinecarboxylic acidAKOS015917742AKOS015938257EN300-6479536Z20770147402-(4-Chloro-phenyl)-6-hydroxy-pyrimidine-4-carboxylic acid2-(4-Chlorophenyl)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid

データベース識別子

CAS: 84660-25-3
PubChem CID: 135878882
DTXSID: DTXSID50516545
EC Number: 895-803-3

物性

構造計算による物性

XLogP: 1.3
極性表面積: 78.8 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 17
形式電荷: 0
複雑度: 409

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.