기본 정보
- CAS
86811-46-3- 표준 SMILES
COc1ccc2c(c1)c(CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
HSTCMJJFYYQQRG-UHFFFAOYSA-N- 분자식
- C33H24ClNO8
- 평균 분자량
- 598 g/mol
- 단동위원소 질량
- 597.1190444
개요
structure given in first source
이름 및 식별자
- 우선 이름
- 2-((2-Carboxyphenoxy)carbonyl)phenyl-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate
- IUPAC
- 2-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoyl]oxybenzoic acid
- 영어명
- 2-((2-carboxyphenoxy)carbonyl)phenyl-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate
- 분자식
- C33H24ClNO8
- 분자량
- 598
이름 및 동의어
86811-46-3TB-2202-((2-Carboxyphenoxy)carbonyl)phenyl-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetateRefChem:836611H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-[(2-carboxyphenoxy)carbonyl]phenyl esterTB 2201H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-((2-carboxyphenoxy)carbonyl)phenyl ester(2-((2-Carboxyphenoxy)carbonyl)phenyl)-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetateDTXSID7073694SCHEMBL111489581H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2-((2-carboxyphenoxy)carbonyl)phenyl ester2-{[2-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}oxy)benzoyl]oxy}benzoic acid
이름 더 보기
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 2-[(2-carboxyphenoxy)carbonyl]phenyl ester
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 밀도
- 1.165 · 1.1650 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- EPA
- 1 H-Indole-3-acetic · 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-[(2-carboxyphenoxy)carbonyl]phenyl ester (86811-46-3)
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