기본 정보
- CAS
956824-00-3- 표준 SMILES
CCn1cc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O)c(C)n1- InChIKey
JUYPSWYUJCLWSK-UHFFFAOYSA-N- 분자식
- C16H15FN4O2
- 평균 분자량
- 314.31 g/mol
- 단동위원소 질량
- 314.1179039
이름 및 식별자
- 우선 이름
- 1'-ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-[3,4'-bipyrazole]-4-carboxylic acid
- IUPAC
- 3-(1-ethyl-3-methylpyrazol-4-yl)-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
- 영어명
- 1'-Ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-3,4'-bipyrazole-4-carboxylic acid
- 분자식
- C16H15FN4O2
- 분자량
- 314.31
이름 및 동의어
956824-00-31'-ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-[3,4'-bipyrazole]-4-carboxylic acid1'-ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-3,4'-bipyrazole-4-carboxylic acidMFCD085581993-(1-ethyl-3-methylpyrazol-4-yl)-1-(4-fluorophenyl)pyrazole-4-carboxylic acid3-(1-Ethyl-3-methyl-1h-pyrazol-4-yl)-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylic acidDTXSID001141134GNB82400HTS17840SBB023678STK350739AKOS000313556
이름 더 보기
[3,4'-Bi-1H-pyrazole]-4-carboxylic acid, 1'-ethyl-1-(4-fluorophenyl)-3'-methyl-
CCG-275761VS-10200CS-0240938EN300-2306421''-Ethyl-1-(4-fluorophenyl)-3''-methyl-1H,1''H-3,4''-bipyrazole-4-carboxylic Acid1'-ethyl-1-(4-fluorophenyl)-3'-methyl-1H,1'H-[3,4'-bipyrazole]-4-carboxylicacid1a(2)-Ethyl-1-(4-fluorophenyl)-3a(2)-methyl[3,4a(2)-bi-1H-pyrazole]-4-carboxylic acid3-(1-ethyl-3-methyl-pyrazol-4-yl)-1-(4-fluorophenyl)pyrazole-4-carboxylic acid
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 430
물리화학적 성질
- 끓는 점
- 472 · 472.0±45.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.32 · 3.32±0.36(Predicted)
화학 및 산업
공급사1 곳
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…