기본 정보
- 표준 SMILES
Cc1c(-c2cc(Br)c(O)c(Br)c2)oc2ccc(O)cc2c1=O- InChIKey
GKDYOXMZSXVKPP-UHFFFAOYSA-N- 분자식
- C16H10Br2O4
- 평균 분자량
- 426.05 g/mol
- 단동위원소 질량
- 423.894583
개요
structure given in first source
이름 및 식별자
- 우선 이름
- 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one
- IUPAC
- 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methylchromen-4-one
- 영어명
- 4H-1-Benzopyran-4-one, 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-met hyl-
- 분자식
- C16H10Br2O4
- 분자량
- 426.06
이름 및 동의어
104567-72-83-Methyl-4',6-dihydroxy-3',5'-dibromoflavoneEMD-21388DTXSID401465574H-1-Benzopyran-4-one, 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-oneRefChem:538428DTXCID00690486,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONEEmd 213882-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-chromen-4-one2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methylchromen-4-one
이름 더 보기
AP4Impurity4H-1-Benzopyran-4-one, 2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-met hyl-
41L058NWH34H-1-Benzopyran-4-one,2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-FL8UNII-41L058NWH3SCHEMBL1447424GKDYOXMZSXVKPP-UHFFFAOYSA-NDB01838DA-20067
데이터베이스 식별자
- CAS
104567-72-8- PubChem CID
- 128600
- DTXSID
DTXSID40146557- UNII
- 41L058NWH3
- Nikkaji
- J709.878B
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 481
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 529.1 · 529.1±50.0 °C(Predicted)
- 밀도
- 1.881 · 1.881±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.38 · 7.38±0.40(Predicted)
화학 및 산업
공급사2 곳
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
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