2-Isopropyl-5-methylphenyl 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylate
기본 정보
- CAS
355824-16-7- 표준 SMILES
Cc1ccc(C(C)C)c(OC(=O)c2cc(-c3ccc(Br)cc3)nc3ccc(C)cc23)c1- InChIKey
YLPHEFURFGGPID-UHFFFAOYSA-N- 분자식
- C27H24BrNO2
- 평균 분자량
- 474.4 g/mol
- 단동위원소 질량
- 473.09904
이름 및 식별자
- 우선 이름
- 2-Isopropyl-5-methylphenyl 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylate
- IUPAC
- (5-methyl-2-propan-2-ylphenyl) 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate
- 영어명
- 2-Isopropyl-5-methylphenyl 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylate
- 분자식
- C27H24BrNO2
- 분자량
- 474.39
이름 및 동의어
ZINC2577088MFCD02104772STK380424ZINC02577088AKOS005449940ZINC000002577088ST508694235methyl2(propan2yl)phenyl2(4bromophenyl)6methylquinoline4carboxylate(5METHYL2PROPAN2YLPHENYL)2(4BROMOPHENYL)6METHYLQUINOLINE4CARBOXYLATE2-ISOPROPYL-5-METHYLPHENYL 2-(4-BROMOPHENYL)-6-METHYL-4-QUINOLINECARBOXYLATE5-methyl-2-(methylethyl)phenyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxyla te5METHYL2(1METHYLETHYL)PHENYL2(4BROMOPHENYL)6METHYLQUINOLINE4CARBOXYLATE
이름 더 보기
4-Quinolinecarboxylic acid, 2-(4-bromophenyl)-6-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester
5METHYL2(METHYLETHYL)PHENYL2(4BROMOPHENYL)6METHYLQUINOLINE4CARBOXYLATECC1=CC2=C(C=C1)N=C(C=C2C(=O)OC3=C(C=CC(=C3)C)C(C)C)C4=CC=C(C=C4)Br
데이터베이스 식별자
- CAS
355824-16-7- PubChem CID
- 3732870
- EC Number
- 126-206-1
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 39.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 602
물리화학적 성질
- 끓는 점
- 619.479 · 619.479±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.302 · 1.302±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 2.434 · 2.434±0.30(predicted)
관련 반응
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