기본 정보
- 표준 SMILES
COC(=O)C(F)(c1cc(Cl)ccc1OC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
NRAVOLAZWNNNQP-UHFFFAOYSA-N- 분자식
- C17H12ClF4NO5
- 평균 분자량
- 421.7 g/mol
이름 및 식별자
- 우선 이름
- Methyl (5-chloro-2-methoxyphenyl)(fluoro)[2-nitro-4-(trifluoromethyl)phenyl]acetate
- IUPAC
- methyl 2-(5-chloro-2-methoxyphenyl)-2-fluoro-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate
이름 및 동의어
methyl (5-chloro-2-methoxyphenyl)(fluoro)[2-nitro-4-(trifluoromethyl)phenyl]acetatemethyl 2-(5-chloro-2-methoxyphenyl)-2-fluoro-2-[2-nitro-4-(trifluoromethyl)phenyl]acetatemethyl 2-(5-chloro-2-methoxyphenyl)-2-fluoro-2-(2-nitro-4-(trifluoromethyl)phenyl)acetateSTK776348AKOS005618216ST084145methyl 2-(5-chloro-2-methoxyphenyl)-2-fluoro-2-[2-nitro-4-(trifluoromethyl)phe nyl]acetate206194-00-55-Chloro-a-fluoro-2-methoxy-alpha-[2-nitro-4-(trifluoromethyl)-phenyl]benzeneacetic acid, methyl ester5-chloro-alpha-fluoro-2-methoxy-alpha-[2-nitro-4-(trifluoromethyl)-phenyl]benzeneacetic acid, methyl ester5-chloro-alpha-fluoro-2-methoxy-alpha-[2-nitro-4-(trifluoromethyl)phenyl]benzeneacetic acid, methyl ester
데이터베이스 식별자
- PubChem CID
- 4917385
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 81.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 587
관련 반응
4건
화합물 노트
불러오는 중…