기본 정보
- CAS
34771-66-9- 표준 SMILES
Cc1nn(-c2ccc3cc(-n4cc(Cl)cn4)c(=O)oc3c2)nc1-c1ccccc1- InChIKey
XPCRQHRLGGKEPE-UHFFFAOYSA-N- 분자식
- C21H14ClN5O2
- 평균 분자량
- 403.8 g/mol
- 단동위원소 질량
- 403.0836024
이름 및 식별자
- 우선 이름
- 2H-1-Benzopyran-2-one, 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-
- IUPAC
- 3-(4-chloropyrazol-1-yl)-7-(4-methyl-5-phenyltriazol-2-yl)chromen-2-one
- 영어명
- 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2-benzopyrone
- 분자식
- C21H14ClN5O2
- 분자량
- 403.82
이름 및 동의어
2H-1-Benzopyran-2-one, 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-DTXSID7067871RefChem:484136DTXCID603890234771-66-93-(4-Chloropyrazol-1-yl)-7-(4-methyl-5-phenyl-1,2,3-triazol-2-yl)coumarin35867-91-53-(4-Chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2H-chromen-2-one3-(4-Chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2-benzopyrone3-(4-Chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2H-1-benzopyran-2-oneEINECS 252-206-73-(4-chloropyrazol-1-yl)-7-(4-methyl-5-phenyltriazol-2-yl)chromen-2-one
이름 더 보기
NIOSH/DJ2979180SCHEMBL11420409XPCRQHRLGGKEPE-UHFFFAOYSA-N3-(4-Chloro-1-pyrazolyl)-7-(5-methyl-4-phenyl-vic-triazol-2-yl)coumarin2H-1-Benzopyran-2-one, 3-(4-chloropyrazol-1-yl)-7-(4-methyl-5-phenyl-1,2,3-triazol-2-yl)-DB-240619DJ29791800NS00055224
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 74.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 655
물리화학적 성질
- EPA
- 2 H-1-Benzopyran-2-one, · 2H-1-Benzopyran-2-one, 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)- (34771-66-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 2H-1-Benzopyran-2-one, 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information2H-1-Benzopyran-2-one, 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-: INACTIVE
공급사1 곳
HONEST JOY HOLDINGS LIMITED[email protected]
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