기본 정보
- CAS
107786-36-7- 표준 SMILES
COC(=O)c1ccc(Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(OC)c1- InChIKey
UZKUCUPQOOZWJC-UHFFFAOYSA-N- 분자식
- C18H16N2O5
- 평균 분자량
- 340.3 g/mol
- 단동위원소 질량
- 340.10592161
이름 및 식별자
- 우선 이름
- 3-(2-Methoxy-4-methoxycarboxybenzyl)-5-nitroindole
- IUPAC
- methyl 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzoate
이름 및 동의어
107786-36-73-(2-methoxy-4-methoxycarboxybenzyl)-5-nitroindoleEC 428-910-7Methyl 3-methoxy-4-[(5-nitro-1H-indol-3-yl)methyl]benzoateMethyl 3-methoxy-4-((5-nitro-1H-indol-3-yl)methyl)benzoateRefChem:491114428-910-7methyl 3-methoxy-4-[(5-nitroindol-3-yl)methyl]benzoateSCHEMBL3676424DTXSID6011912944-[5-nitro-1H-indol-3-ylmethyl]-3-methoxy-benzoic acid methylesterDB-351969
이름 더 보기
methyl 3-methoxy-4-(5-nitroindol-3-ylmethyl)benzoatemethyl 3-methoxy-4-(5 -nitroindol-3-ylmethyl)benzoate3-Methoxy-4-(5-nitro-1H-indol-3-ylmethyl)-benzoic acid methyl ester
데이터베이스 식별자
- CAS
107786-36-7- PubChem CID
- 11473263
- DTXSID
DTXSID601191294- EC Number
- 428-910-7
- Nikkaji
- J1.906.148E
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 97.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 494
안전 및 규제
GHS 분류
GHS Classification
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory InformationStatus: No longer Valid Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4223
Hazard Classes and Categories
Hazardous to the aquatic environment (chronic) - category 4
Aquatic Chronic 4
관련 반응
49건
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