기본 정보
- CAS
613240-18-9- 표준 SMILES
CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)on1- InChIKey
MKMLEMDGZCVWJB-UHFFFAOYSA-N- 분자식
- C13H10F3NO3
- 평균 분자량
- 285.22 g/mol
- 단동위원소 질량
- 285.06127784
이름 및 식별자
- 우선 이름
- Ethyl 5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxylate
- IUPAC
- ethyl 5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylate
- 현지명
- 5-(4-TRIFLUOROMETHYLPHENYL)-ISOXAZOLE-3-카르복실산에틸에스테르
- 영어명
- 5-(4-TRIFLUOROMETHYLPHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
- 분자식
- C13H10F3NO3
- 분자량
- 285.22
이름 및 동의어
613240-18-9Ethyl 5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxylateEthyl 5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylateethyl 5-[4-(trifluoromethyl)phenyl]isoxazole-3-carboxylateMFCD09749389Ethyl5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxylateSCHEMBL766707DTXSID30622214SY069082DB-343014CS-0454270ethyl-5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxylate
이름 더 보기
5-(4-TRIFLUOROMETHYLPHENYL)-ISOXAZOLE-3-카르복실산에틸에스테르5-[4-(TRIFLUOROMETHYL)PHENYL]-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER3-Isoxazolecarboxylic acid, 5-[4-(trifluoromethyl)phenyl]-, ethyl ester
5-(4-Trifluoromethyl-phenyl)-isoxazole-3-carboxylic acid ethyl ester5-(4-TRIFLUOROMETHYLPHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
데이터베이스 식별자
- CAS
613240-18-9- PubChem CID
- 22064085
- DTXSID
DTXSID30622214
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 52.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 340
물리화학적 성질
- 저장 조건
- 2 · 2-8°C
화학 및 산업
공급사3 곳
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