Methyl 2'-methyl-2-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate

HCID 58554190

기본 정보

CAS
1140462-05-0
표준 SMILES
COC(=O)c1ccc(-c2ccccc2C)c(C(F)(F)F)c1
InChIKey
FPYOTPGYISYHLH-UHFFFAOYSA-N
분자식
C16H13F3O2
평균 분자량
294.27 g/mol
단동위원소 질량
294.08676414

이름 및 식별자

우선 이름
Methyl 2'-methyl-2-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate
IUPAC
methyl 4-(2-methylphenyl)-3-(trifluoromethyl)benzoate

이름 및 동의어

1140462-05-0METHYL 2'-METHYL-2-(TRIFLUOROMETHYL)-[1,1'-BIPHENYL]-4-CARBOXYLATESCHEMBL320542DTXSID401193032DB-158236methyl 2'-methyl-2-(trifluoromethyl)biphenyl-4-carboxylateMethyl 2a(2)-methyl-2-(trifluoromethyl)biphenyl-4-carboxylateMethyl 2'-methyl-2-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylateMETHYL2'-METHYL-2-(TRIFLUOROMETHYL)-[1,1'-BIPHENYL]-4-CARBOXYLATE[1,1'-Biphenyl]-4-carboxylic acid, 2'-methyl-2-(trifluoromethyl)-, methyl esterMethyl 2 inverted exclamation marka-methyl-2-(trifluoromethyl)biphenyl-4-carboxylate

데이터베이스 식별자

CAS
1140462-05-0
PubChem CID
58554190
DTXSID
DTXSID401193032

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

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