기본 정보
- 표준 SMILES
CCOP(=O)(Cc1ccc(C(F)(F)F)cc1)OCC- InChIKey
NTQKMIQYHZLRSW-UHFFFAOYSA-N- 분자식
- C12H16F3O3P
- 평균 분자량
- 296.22 g/mol
이름 및 식별자
- 우선 이름
- Diethyl 4-(trifluoromethyl)benzylphosphonate
- IUPAC
- 1-(diethoxyphosphorylmethyl)-4-(trifluoromethyl)benzene
이름 및 동의어
99578-68-4diethyl 4-(trifluoromethyl)benzylphosphonate1-(Diethoxyphosphorylmethyl)-4-(trifluoromethyl)benzeneMFCD09836731Diethyl (4-(trifluoromethyl)benzyl)phosphonateDiethyl [4-(Trifluoromethyl)benzyl]phosphonate4-(trifluoromethyl)benzylphosphonic acid diethyl esterdiethyl {[4-(trifluoromethyl)phenyl]methyl}phosphonateSCHEMBL1353297AKOS005068255Diethyl 4-trifluoromethylbenzylphosphonateSY309544
이름 더 보기
diethyl (4-trifluoromethylbenzyl)phosphonateCS-0457837D5900G78917Diethyl 4-(trifluoromethyl)benzylphosphonate, 97%F102025[4-(Trifluoromethyl)benzyl]phosphonic Acid Diethyl Ester[[4-(Trifluoromethyl)phenyl]methyl]phosphonic Acid Diethyl Ester
데이터베이스 식별자
- PubChem CID
- 15819199
- Nikkaji
- J517.202K
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 35.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 302
관련 반응
9건
화합물 노트
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