Methyl 2-methyl-2'-(trifluoromethyl)biphenyl-4-carboxylate

HCID 59606539

기본 정보

표준 SMILES
COC(=O)c1ccc(-c2ccccc2C(F)(F)F)c(C)c1
InChIKey
ZCMSGNNTJCCLRU-UHFFFAOYSA-N
분자식
C16H13F3O2
평균 분자량
294.27 g/mol
단동위원소 질량
294.08676414

이름 및 식별자

우선 이름
Methyl 2-methyl-2'-(trifluoromethyl)biphenyl-4-carboxylate
IUPAC
methyl 3-methyl-4-[2-(trifluoromethyl)phenyl]benzoate

이름 및 동의어

methyl 2-methyl-2'-(trifluoromethyl)biphenyl-4-carboxylateMethyl 2-methyl-2'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylate473264-00-5SCHEMBL2776641DB-3861442-Methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-carboxylic acid methyl ester(2-Methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl)-carboxylic acid methyl ester(2-Methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl)carboxylic acid methyl ester

데이터베이스 식별자

PubChem CID
59606539

물성

구조 계산 물성

XLogP
4.6
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
3
무거운 원자 수
21

관련 반응

16건

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