기본 정보
- CAS
14273-76-8- 표준 SMILES
CCOC(=O)Cc1cnc(C)nc1Cl- InChIKey
UXHQKBUDSNPVJV-UHFFFAOYSA-N- 분자식
- C9H11ClN2O2
- 평균 분자량
- 214.65 g/mol
- 단동위원소 질량
- 214.0509053
이름 및 식별자
- 우선 이름
- (6-Chloro-2-methyl-5-pyrimidyl)acetic acid, ethyl ester
- IUPAC
- ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
14273-76-8- PubChem CID
- 26604
- DTXSID
DTXSID10162143- UNII
- 2S581R662D
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 52.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 201
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Pyrimidines
SolubilityINSOL IN WATER; SOL IN ETHER & BENZENE
Boiling Point108-112 °C AT 11 MM HG
Melting Point35-36 °C
화학 및 산업
용도 및 제조
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
관련 반응
3건
화합물 노트
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