기본 정보
- CAS
338400-87-6- 표준 SMILES
CCOC(=O)C1=C(C(F)(F)F)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(Cl)cc1- InChIKey
VDZQPQYBDBIKTN-UHFFFAOYSA-N- 분자식
- C21H21ClF3NO3
- 평균 분자량
- 427.8 g/mol
- 단동위원소 질량
- 427.1162057
이름 및 식별자
- 우선 이름
- Ethyl 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-(trifluoromethyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
- IUPAC
- ethyl 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-(trifluoromethyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
- 영어명
- ETHYL 4-(4-CHLOROPHENYL)-7,7-DIMETHYL-5-OXO-2-(TRIFLUOROMETHYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATE
- 분자식
- C21H21ClF3NO3
- 분자량
- 427.84
이름 및 동의어
338400-87-6ethyl 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-(trifluoromethyl)-1,4,6,8-tetrahydroquinoline-3-carboxylateAKOS005085826ethyl 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-(trifluoromethyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate2M-718ethyl 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-(trifluoromethyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate3-Quinolinecarboxylic acid, 4-(4-chlorophenyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-2-(trifluoromethyl)-, ethyl ester
데이터베이스 식별자
- CAS
338400-87-6- PubChem CID
- 3353922
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 55.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 762
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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