기본 정보
- CAS
477710-98-8- 표준 SMILES
O=S(=O)(c1cccc(C(F)(F)F)c1)n1ccc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1- InChIKey
YJUXJPAOXQFRBL-UHFFFAOYSA-N- 분자식
- C23H15ClF4N2O3S
- 평균 분자량
- 510.9 g/mol
이름 및 식별자
- 우선 이름
- 3-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1H-pyrazole
- IUPAC
- 3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpyrazole
- 영어명
- 2-Chloro-6-fluorobenzyl 4-(1-([3-(trifluoromethyl)phenyl]sulfonyl)-1H-pyrazol-3-yl)phenyl ether
- 분자식
- C23H15ClF4N2O3S
- 분자량
- 510.89
이름 및 동의어
477710-98-83-{4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1H-pyrazole3-{4-[(2-chloro-6-fluorophenyl)methoxy]phenyl}-1-[3-(trifluoromethyl)benzenesulfonyl]-1H-pyrazole3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-[3-(trifluoromethyl)phenyl]sulfonylpyrazoleAKOS0050863022R-01123-(4-[(2-CHLORO-6-FLUOROBENZYL)OXY]PHENYL)-1-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)-1H-PYRAZOLE2-Chloro-6-fluorobenzyl 4-(1-([3-(trifluoromethyl)phenyl]sulfonyl)-1H-pyrazol-3-yl)phenyl ether1H-Pyrazole, 3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1-[[3-(trifluoromethyl)phenyl]sulfonyl]-
데이터베이스 식별자
- CAS
477710-98-8
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 69.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 773
물리화학적 성질
- 끓는 점
- 625.5 · 625.5±65.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -5.76 · -5.76±0.19(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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