기본 정보
- CAS
864736-32-3- 표준 SMILES
COC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C- InChIKey
QLEKSZJORBGUOU-UHFFFAOYSA-N- 분자식
- C19H14Cl2F3NO3
- 평균 분자량
- 432.2 g/mol
- 단동위원소 질량
- 431.0302832
이름 및 식별자
- 우선 이름
- Methyl 4-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoate
- IUPAC
- methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
- 영어명
- 4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-benzoic acid methyl ester
- 분자식
- C19H14Cl2F3NO3
- 분자량
- 432.22
이름 및 동의어
864736-32-3Methyl 4-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoatemethyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl]-2-methylbenzoateFluralaner Impurity 55C19H14Cl2F3NO3SCHEMBL362563methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoateSY348879DB-402438CS-0188748F82953F626983
이름 더 보기
RMA-97Fluralaner-035(4- (5- (3,5-dichlorophenyl) -5-trifluoromethyl-4,5-dihydroisoxazol-3-yl) -2-methylbenzoyl) glycine4-[5-(3,5-DICHLORO-PHENYL)-5-TRIFLUOROMETHYL-4,5-DIHYDRO-ISOXAZOL-3-YL]-2-METHYL-BENZOIC ACID METHYLBenzoic acid, 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methyl-, methyl ester
methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-isoxazol-3-yl]-2-methyl-benzoate4-[5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-2-methyl-benzoic acid methyl ester4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-2-methylbenzoic acid methyl ester4-[5-(3,5-dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-methylbenzoic acid methyl esterMethyl 4-[5-(3,5-dichlorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-2-methylbenzoateMethyl 4-[5-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-3-isoxazolyl]-2-methylbenzoateMethyl4-(5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-2-methylbenzoate
데이터베이스 식별자
- CAS
864736-32-3- PubChem CID
- 59563501
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 47.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 620
물리화학적 성질
- 끓는 점
- 483.1 · 483.1±55.0 °C(Predicted)
- 밀도
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- InChI
- InChI=1S/C19H14Cl2F3NO3/c1-10-5-11(3-4-15(10)17(26)27-2)16-9-18(28-25-16,19(22,23)24)12-6-13(20)8-14(21)7-12/h3-8H,9H2,1-2H3
- InChIKey
- QLEKSZJORBGUOU-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=C(C2CC(C3=CC(Cl)=CC(Cl)=C3)(C(F)(F)F)ON=2)C=C1C
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