CAS 1267301-54-1 5-Bromo-2-(propan-2-yl)pyrimidine-4-carboxylic acid (HCID 67299898)

基本情報

CAS: 1267301-54-1
標準SMILES: CC(C)c1ncc(Br)c(C(=O)O)n1
InChIKey: ZRKAYXAEJJRSBK-UHFFFAOYSA-N
分子式: C8H9BrN2O2
平均分子量: 245.07 g/mol

名称と識別子

優先名称: 5-Bromo-2-(propan-2-yl)pyrimidine-4-carboxylic acid
IUPAC: 5-bromo-2-propan-2-ylpyrimidine-4-carboxylic acid

名称と別名

1267301-54-15-bromo-2-(propan-2-yl)pyrimidine-4-carboxylic acidRefChem:533084847-204-35-Bromo-2-isopropylpyrimidine-4-carboxylic acid5-bromo-2-propan-2-ylpyrimidine-4-carboxylic acid5-Bromo-2-isopropyl-pyrimidine-4-carboxylic acidSCHEMBL2159923CHEMBL4935703ZRKAYXAEJJRSBK-UHFFFAOYSA-NSAC30154MFCD11870590

名称をさらに表示

AKOS022404529AT18383DB-206794EN300-153320A1-09798Z1269121179

データベース識別子

CAS: 1267301-54-1
PubChem CID: 67299898
ChEMBL: CHEMBL4935703
EC Number: 847-204-3

物性

構造計算による物性

XLogP: 1.9
極性表面積: 63.1 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: 2
重原子数: 13
形式電荷: 0
複雑度: 199

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.