5-amino-1-[2,6-dichloro-4-(trifluoromethyl)-phenyl]-4-methylsulfinyl-1H-pyrazole-3-carboxaldehyde oxime

HCID 136352416

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

관련 반응

43건

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