기본 정보
- CAS
72829-17-5- 표준 SMILES
CCOC(=O)Cn1c(-c2ccc(-c3ccn(-c4ccccc4)n3)o2)[n+](C)c2ccccc21.[Br-]- InChIKey
DOIGBRIYFULADW-UHFFFAOYSA-M- 분자식
- C25H23BrN4O3
- 평균 분자량
- 507.4 g/mol
- 단동위원소 질량
- 506.09535
이름 및 식별자
- 우선 이름
- 1H-Benzimidazolium, 3-(2-ethoxy-2-oxoethyl)-1-methyl-2-(5-(1-phenyl-1H-pyrazol-3-yl)-2-furanyl)-, bromide (1:1)
- IUPAC
- ethyl 2-[3-methyl-2-[5-(1-phenylpyrazol-3-yl)furan-2-yl]benzimidazol-3-ium-1-yl]acetate bromide
- 영어명
- 1-(2-ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)furan-2-yl]-1H-benzimidazolium bromide
- 분자식
- C25H23BrN4O3
- 분자량
- 507.39
이름 및 동의어
72829-17-5EINECS 276-907-21H-Benzimidazolium, 1-((ethoxycarbonyl)methyl)-3-methyl-2-(5-(1-phenyl-1H-pyrazol-3-yl)-2-furanyl)-, bromide1H-Benzimidazolium, 1-(2-ethoxy-2-oxoethyl)-3-methyl-2-(5-(1-phenyl-1H-pyrazol-3-yl)-2-furanyl)-, bromide1H-Benzimidazolium, 3-(2-ethoxy-2-oxoethyl)-1-methyl-2-(5-(1-phenyl-1H-pyrazol-3-yl)-2-furanyl)-, bromide (1:1)1H-Benzimidazolium, 1-(2-ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)-2-furanyl]-, bromide1H-Benzimidazolium, 3-(2-ethoxy-2-oxoethyl)-1-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)-2-furanyl]-, bromide (1:1)RefChem:797121-(2-Ethoxy-2-oxoethyl)-3-methyl-2-(5-(1-phenyl-1H-pyrazol-3-yl)furan-2-yl)-1H-benzimidazolium bromideSCHEMBL3140654DTXSID50276556DOIGBRIYFULADW-UHFFFAOYSA-M
이름 더 보기
1-(2-ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)furan-2-yl]-1H-benzimidazolium bromide
1-(2-Ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)furan-2-yl]-1H-1,3-benzimidazol-3-ium bromide
데이터베이스 식별자
- CAS
72829-17-5- PubChem CID
- 166330
- DTXSID
DTXSID50276556- EC Number
- 276-907-2
물성
구조 계산 물성
- 극성 표면적
- 66.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 643
물리화학적 성질
- EPA
- 1 H-Benzimidazolium, · 1H-Benzimidazolium, 1-(2-ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)-2-furanyl]-, bromide (72829-17-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
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