기본 정보
- CAS
52923-35-0- 표준 SMILES
O=C(/C=C/c1ccccc1)c1cc(Cl)ccc1O- InChIKey
GVKYSLWFMZCXBQ-SOFGYWHQSA-N- 분자식
- C15H11ClO2
- 평균 분자량
- 258.7 g/mol
이름 및 식별자
- 우선 이름
- 2-Propen-1-one, 1-(5-chloro-2-hydroxyphenyl)-3-phenyl-
- IUPAC
- (E)-1-(5-chloro-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
- 영어명
- 1-(5-Chloro-2-hydroxy-phenyl)-3-phenyl-propenone
- 분자식
- C15H11ClO2
- 분자량
- 258.7
이름 및 동의어
2-Propen-1-one, 1-(5-chloro-2-hydroxyphenyl)-3-phenyl-RefChem:10643962'-Hydroxy-5'-chlorochalcone1218-24-2(E)-1-(5-chloro-2-hydroxyphenyl)-3-phenylprop-2-en-1-one(2E)-1-(5-chloro-2-hydroxyphenyl)-3-phenylprop-2-en-1-oneMFCD001800511-(5-chloro-2-hydroxyphenyl)-3-phenylprop-2-en-1-one52923-35-0Acrylophenone, 5'-chloro-2'-hydroxy-3-phenyl-1-(5-Chloro-2-hydroxyphenyl)-3-phenyl-2-propen-1-one2-Propen-1-one, 1-(5-chloro-2-hydroxyphenyl)-3-phenyl-, (E)-
이름 더 보기
1-(5-Chloro-2-hydroxy-phenyl)-3-phenyl-propenone(2E)-1-(5-Chloro-2-hydroxyphenyl)-3-phenyl-2-propen-1-one2-Propen-1-one, 1-(5-chloro-2-hydroxyphenyl)-3-phenyl-, (2E)-
(E)-1-(5-chloro-2-hydroxy-phenyl)-3-phenyl-prop-2-en-1-one5'-Chloro-2'-hydroxychalconeChalcone, 10CHEMBL2030817SCHEMBL11050763BDBM86010STL356142AKOS022140273
데이터베이스 식별자
- CAS
52923-35-0- ChEMBL
CHEMBL2030817- Nikkaji
- J1.073.107K、J461.999D
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 308
물리화학적 성질
- 녹는점
- 105 · 105-108 °C(Solvent: Ethanol)
- 끓는 점
- 437.104 · 437.104±45.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.292 · 1.292±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 7.188 · 7.188±0.43(predicted)
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
PRINCETON[email protected]
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