4-(Methylsulfonyl)-3-(trifluoromethyl)benzonitrile

HCID 45933716

기본 정보

표준 SMILES
CS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F
InChIKey
LGCUPQRKPXOJGQ-UHFFFAOYSA-N
분자식
C9H6F3NO2S
평균 분자량
249.21 g/mol
단동위원소 질량
249.00713409

이름 및 식별자

우선 이름
4-(Methylsulfonyl)-3-(trifluoromethyl)benzonitrile
IUPAC
4-methylsulfonyl-3-(trifluoromethyl)benzonitrile

이름 및 동의어

904311-38-24-(Methylsulfonyl)-3-(trifluoromethyl)benzonitrile4-(Methylsulphonyl)-3-(trifluoromethyl)benzonitrile4-methanesulfonyl-3-(trifluoromethyl)benzonitrileBENZONITRILE,4-(METHYLSULFONYL)-3-(TRIFLUOROMETHYL)-MFCD121969304-methylsulfonyl-3-(trifluoromethyl)benzonitrileBenzonitrile, 4-(methylsulfonyl)-3-(trifluoromethyl)-SCHEMBL249787ELB31138SBB100550AKOS015966847
이름 더 보기
PS-6759CS-0459418EN300-179655G319504-methanesulfonyl-3-trifluoromethyl-benzonitrile4-(methylsulfonyl)-3-(trifluoromethyl)benzenecarbonitrileZ18486072985-Cyano-2-(methylsulphonyl)benzotrifluoride, 4-Cyano-2-(trifluoromethyl)phenyl methyl sulphone

데이터베이스 식별자

PubChem CID
45933716

물성

구조 계산 물성

XLogP
1.8
극성 표면적
66.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
1
무거운 원자 수
16

관련 반응

4건

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