基本情報
- CAS
14273-76-8- 標準SMILES
CCOC(=O)Cc1cnc(C)nc1Cl- InChIKey
UXHQKBUDSNPVJV-UHFFFAOYSA-N- 分子式
- C9H11ClN2O2
- 平均分子量
- 214.65 g/mol
- 単同位体質量
- 214.0509053
名称と識別子
- 優先名称
- (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester
- IUPAC
- ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
名称と別名
HSDB 2677(6-CHLORO-2-METHYL-5-PYRIMIDYL)ACETIC ACID, ETHYL ESTERUNII-2S581R662Dethyl (6-chloro-2-methyl-5-pyrimidyl)acetateDTXSID10162143RefChem:69677DTXCID60846345Pyrimidineacetic acid, 4chloro2methyl, ethyl esterAcetic acid, (6chloro2methyl5pyrimidyl), ethyl esterethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate14273-76-82S581R662D
名称をさらに表示
5-Pyrimidineacetic acid, 4-chloro-2-methyl-, ethyl esterAcetic acid, (6-chloro-2-methyl-5-pyrimidyl)-, ethyl esterSCHEMBL8880069UXHQKBUDSNPVJV-UHFFFAOYSA-NEthyl (4-chloro-2-methylpyrimidin-5-yl)acetateethyl2-(4-chloro-2-methylpyrimidin-5-yl)acetateQ27255533Ethyl alpha-(2-methyl-4-chloro-5-pyrimidinyl)-acetate
データベース識別子
- CAS
14273-76-8- PubChem CID
- 26604
- DTXSID
DTXSID10162143- UNII
- 2S581R662D
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 52.1 Ų
- 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
- 4
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 201
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Pyrimidines
SolubilityINSOL IN WATER; SOL IN ETHER & BENZENE
Boiling Point108-112 °C AT 11 MM HG
Melting Point35-36 °C
化学と産業
用途と製造
Uses
Halogenophenylacetoacetic acid amides: Used as fungicides and germicides; Not commercially produced in the US; [HSDB]
Farming (Pesticides) [Category: Industry]
HALOGENOPHENYLACETOACETIC ACID AMIDES USED AS FUNGICIDES & GERMICIDES.
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1977) NOT PRODUCED COMMERCIALLY IN US
(1979) NOT PRODUCED COMMERCIALLY IN US
関連反応
3 件
化合物ノート
読み込み中…