기본 정보
- 표준 SMILES
CS(=O)c1c(C=NO)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N- InChIKey
HUFSITFCVJWWGD-UHFFFAOYSA-N- 분자식
- C12H9Cl2F3N4O2S
- 평균 분자량
- 401.2 g/mol
이름 및 식별자
- 우선 이름
- 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)-phenyl]-4-methylsulfinyl-1H-pyrazole-3-carboxaldehyde oxime
- IUPAC
- N-[[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfinylpyrazol-3-yl]methylidene]hydroxylamine
이름 및 동의어
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)-phenyl]-4-methylsulfinyl-1H-pyrazole-3-carboxaldehyde oximeSCHEMBL7024788JHRJSBNMCGKICI-UHFFFAOYSA-N5-amino- 1-[2,6-dichloro4-(trifluoromethyl)phenyl]-4-methylsulfinyl-1H-pyrazole-3-carboxaldehyde oxime5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-mehtylsulfinyl-1H-pyrazole-3-carboxaldehyde oxime5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-1 H-pyrazole-3-carboxaldehyde oxime5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-1H-pyrazole-3 -carboxaldehyde oxime5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfinyl-1H-pyrazole-3-carboxaldehyde oxime
데이터베이스 식별자
- PubChem CID
- 136352416
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 501
관련 반응
43건
화합물 노트
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