3-(3-Bromo-2-methyl-6-(methylsulfonyl)phenyl)-4,5-dihydroisoxazole
기본 정보
- CAS
247922-29-8- 표준 SMILES
Cc1c(Br)ccc(S(C)(=O)=O)c1C1=NOCC1- InChIKey
NOAIQLLBVFANQS-UHFFFAOYSA-N- 분자식
- C11H12BrNO3S
- 평균 분자량
- 318.19 g/mol
- 단동위원소 질량
- 316.97212634
이름 및 식별자
- 우선 이름
- 3-(3-Bromo-2-methyl-6-(methylsulfonyl)phenyl)-4,5-dihydroisoxazole
- IUPAC
- 3-(3-bromo-2-methyl-6-methylsulfonylphenyl)-4,5-dihydro-1,2-oxazole
- 영어명
- 3-(3-Bromo-2-methyl-6-(methylsulfonyl)phenyl)-4,5-dihydroisoxazole
- 분자식
- C11H12BrNO3S
- 분자량
- 318.19
이름 및 동의어
247922-29-83-(3-Bromo-2-methyl-6-(methylsulfonyl)phenyl)-4,5-dihydroisoxazoleIsoxazole, 3-[3-bromo-2-methyl-6-(methylsulfonyl)phenyl]-4,5-dihydro-DTXSID004493943-[3-bromo-2-methyl-6-(methylsulfonyl)phenyl]-4,5-dihydroisoxazoleIsoxazole, 3-(3-bromo-2-methyl-6-(methylsulfonyl)phenyl)-4,5-dihydro-RefChem:1066669DTXCID70400215607-438-73-(3-bromo-2-methyl-6-methylsulfonylphenyl)-4,5-dihydro-1,2-oxazoleSCHEMBL701268NOAIQLLBVFANQS-UHFFFAOYSA-N
이름 더 보기
3-(3-bromo-2-methyChemicalbookl-6-(methylsulfonyl)phenyl)-4,5-dihydroisoxazole
3-(3-bromo-2-methyl-6-methylsulfonylphenyl)-4,5-dihydroisoxazoleH843113-(3-bromo-2-methyl-6-methylsulfonyl-phenyl)-4,5-dihydroisoxazole3-(3-bromo-2-methyl-6-methylsulfonylphenyl)-4,5-dihydro-isoxazole3-[3-Bromo-6-(methanesulfonyl)-2-methylphenyl]-4,5-dihydro-1,2-oxazole
데이터베이스 식별자
- CAS
247922-29-8- PubChem CID
- 10947075
- DTXSID
DTXSID00449394- EC Number
- 607-438-7
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 64.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 415
물리화학적 성질
- InChI
- InChI=1S/C11H12BrNO3S/c1-7-8(12)3-4-10(17(2,14)15)11(7)9-5-6-16-13-9/h3-4H,5-6H2,1-2H3
- InChIKey
- NOAIQLLBVFANQS-UHFFFAOYSA-N
- SMILES
- O1CCC(C2=C(S(C)(=O)=O)C=CC(Br)=C2C)=N1
화학 및 산업
응용 분야
용도3-(3-Bromo-2-methyl-6-(methylsulfonyl)phenyl)-4,5-dihydroisoxazole is a valuable organic reagent that could be used to synthesize Topramezone.
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