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
- 형식 전하
- 0
- 복잡도
- 367
관련 반응
18건
화합물 노트
불러오는 중…