기본 정보
- CAS
957360-12-2- 표준 SMILES
COc1ccc(/C=C/C(=O)Nc2c(C)nn(Cc3c(F)c(F)c(F)c(F)c3F)c2C)cc1COc1ccc(Cl)cc1Br- InChIKey
HCXSCRPAIOHGQW-WEVVVXLNSA-N- 분자식
- C29H22BrClF5N3O3
- 평균 분자량
- 670.8 g/mol
이름 및 식별자
- 우선 이름
- (E)-3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
- IUPAC
- (E)-3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
- 영어명
- 3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]acrylamide
- 분자식
- C29H22BrClF5N3O3
- 분자량
- 670.85
이름 및 동의어
(E)-3-[3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide(2E)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-[3,5-dimethyl-1-(pentafluorobenzyl)-1H-pyrazol-4-yl]prop-2-enamideAK-968/41922837STK302667AKOS003925138(E)-3-{3-[(2-BROMO-4-CHLOROPHENOXY)METHYL]-4-METHOXYPHENYL}-N-[3,5-DIMETHYL-1-(2,3,4,5,6-PENTAFLUOROBENZYL)-1H-PYRAZOL-4-YL]-2-PROPENAMIDE3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]acrylamide957360-12-2
데이터베이스 식별자
- CAS
957360-12-2
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 65.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 914
물리화학적 성질
- 끓는 점
- 722.13 · 722.130±60.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.495 · 1.495±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 12.519 · 12.519±0.70(predicted)
화학 및 산업
공급사1 곳
SPECS[email protected]
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