5,6,7,8-TETRAFLUORO-2-METHYL-4-OXO-4H-CHROMENE-3-CARBOXYLICACID에틸에스테르
Ethyl 5,6,7,8-tetrafluoro-2-methyl-4-oxochromene-3-carboxylate
기본 정보
- CAS
4487-61-0- 표준 SMILES
CCOC(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c2c1=O- InChIKey
APHVYXJZVANHDP-UHFFFAOYSA-N- 분자식
- C13H8F4O4
- 평균 분자량
- 304.19 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 5,6,7,8-tetrafluoro-2-methyl-4-oxochromene-3-carboxylate
- IUPAC
- ethyl 5,6,7,8-tetrafluoro-2-methyl-4-oxochromene-3-carboxylate
- 현지명
- 5,6,7,8-TETRAFLUORO-2-METHYL-4-OXO-4H-CHROMENE-3-CARBOXYLICACID에틸에스테르
- 영어명
- 5,6,7,8-Tetrafluoro-2-methyl-4-oxo-4H-chromene-3-carboxylic acid ethyl ester
- 분자식
- C13H8F4O4
- 분자량
- 0
이름 및 동의어
SMR000041624MLS000079832Oprea1_875231cid_660935CHEMBL1582505BDBM77634HMS2275O06ethyl 5,6,7,8-tetrafluoro-2-methyl-4-oxochromene-3-carboxylate3-ethoxycarbonyl-5,6,7,8-tetrafluoro-2-methylchromone5,6,7,8-tetrafluoro-4-keto-2-methyl-chromene-3-carboxylic acid ethyl ester5,6,7,8-tetrafluoro-2-methyl-4-oxo-1-benzopyran-3-carboxylic acid ethyl esterethyl 5,6,7,8-tetrakis(fluoranyl)-2-methyl-4-oxidanylidene-chromene-3-carboxylate
이름 더 보기
5,6,7,8-TETRAFLUORO-2-METHYL-4-OXO-4H-CHROMENE-3-CARBOXYLICACID에틸에스테르ETHYL 5,6,7,8-TETRAFLUORO-2-METHYL-4-OXO-4H-CHROMENE-3-CARBOXYLATE5,6,7,8-Tetrafluoro-2-methyl-4-oxo-4H-chromene-3-carboxylic acid ethyl ester
데이터베이스 식별자
- CAS
4487-61-0- ChEMBL
CHEMBL1582505- Nikkaji
- J1.092.746C
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 493
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