N-(6-Bromo-1-oxo-2,3-dihydro-1H-inden-5-yl)acetamide

HCID 9993147

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 158205-18-6
표준 SMILES: CC(=O)Nc1cc2c(cc1Br)C(=O)CC2
InChIKey: YHERMLQVYMECSV-UHFFFAOYSA-N
분자식: C11H10BrNO2
평균 분자량: 268.11 g/mol
단동위원소 질량: 266.98949

이름 및 식별자

우선 이름: N-(6-Bromo-1-oxo-2,3-dihydro-1H-inden-5-yl)acetamide
IUPAC: N-(6-bromo-1-oxo-2,3-dihydroinden-5-yl)acetamide
영어명: N-(6-BROMO-2,3-DIHYDRO-1-OXO-1H-INDEN-5-YL)ACETAMIDE
분자식: C11H10BrNO2
분자량: 268.11

이름 및 동의어

158205-18-6N-(6-Bromo-1-oxo-2,3-dihydro-1H-inden-5-yl)acetamideN-(6-BROMO-2,3-DIHYDRO-1-OXO-1H-INDEN-5-YL)ACETAMIDEN-(6-bromo-1-oxo-2,3-dihydroinden-5-yl)acetamide5-Acetylamino-6-bromo-1-indanoneAcetamide, N-(6-bromo-2,3-dihydro-1-oxo-1H-inden-5-yl)-MFCD09263982SCHEMBL2318021SCHEMBL299017125-acetamido-6-bromoindan-1-oneDTXSID004338745-acetylamino-6-bromo-l-indanone

이름 더 보기

YHERMLQVYMECSV-UHFFFAOYSA-N6-Bromo-5-acetamido-indan-1-one5-Acetylamino-6-bromo-1 -indanoneAKOS015916547AB50330N-(6-bromo-1-oxo-indan-5-yl)acetamideSY253228DB-320484

데이터베이스 식별자

CAS: 158205-18-6
PubChem CID: 9993147
DTXSID: DTXSID00433874
EC Number: 179-453-2

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 46.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 292

물리화학적 성질

녹는점: 162 · 162-164 °C
끓는 점: 458.5 · 458.5±45.0 °C(Predicted)
밀도: 1.631 · 1.631±0.06 g/cm3(Predicted)
산도 계수 (pKa): 13.6 · 13.60±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.