5-amino-1-methyl-3-(trifluoromethyl)-1H-Pyrazole-4-carboxylic acid
기본 정보
- CAS
317806-51-2- 표준 SMILES
Cn1nc(C(F)(F)F)c(C(=O)O)c1N- InChIKey
RELBWNKENZUWTK-UHFFFAOYSA-N- 분자식
- C6H6F3N3O2
- 평균 분자량
- 209.13 g/mol
- 단동위원소 질량
- 209.04121093
이름 및 식별자
- 우선 이름
- 5-amino-1-methyl-3-(trifluoromethyl)-1H-Pyrazole-4-carboxylic acid
- IUPAC
- 5-amino-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
- 영어명
- 1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-3-(trifluoromethyl)-(9CI)
- 분자식
- C6H6F3N3O2
- 분자량
- 209.13
이름 및 동의어
317806-51-25-amino-1-methyl-3-(trifluoromethyl)-1H-Pyrazole-4-carboxylic acid5-amino-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylic AcidMFCD128277175-Amino-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-3-(trifluoromethyl)-(9CI)SCHEMBL4625019DTXSID60436008AKOS015850908AT21773AC-27611BS-25252
이름 더 보기
5-amino-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylicaci5-amino-1-methyl-3-(trifluoromethyl)-4-pyrazolecarboxylic acid1H-Pyrazole-4-carboxylicacid,5-aMino-1-Methyl-3-(trifluoroMethyl)5-aMino-3-(trifluoroMethyl)-1-Methyl-1H-pyrazole-4-carboxylic acid1H-Pyrazole-4-carboxylicacid,5-amino-1-methyl-3-(trifluoromethyl)-(9CI) USP/EP/BP
DB-349813F3173555-amino-1-methyl-3-trifluoromethylpyrazole-4-carboxylic acid5-amino-1-methyl-3-(trifluoromethyl)-1H-Pyrazole-4-carboxylicacid
데이터베이스 식별자
- CAS
317806-51-2- PubChem CID
- 10130502
- DTXSID
DTXSID60436008
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 81.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 245
물리화학적 성질
- 끓는 점
- 340.6 · 340.6±42.0 °C(Predicted)
- 밀도
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.67 · 3.67±0.36(Predicted)
관련 반응
2건
화합물 노트
불러오는 중…