1-[3,5-비스(페닐메톡시)페닐]-2-브로모에탄-1-온

1-(3,5-Bis(phenylmethoxy)phenyl)-2-bromoethan-1-one

HCID 120097

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 28924-18-7
표준 SMILES: O=C(CBr)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIKey: JIQMOQSQAVBFLO-UHFFFAOYSA-N
분자식: C22H19BrO3
평균 분자량: 411.3 g/mol
단동위원소 질량: 410.05176

이름 및 식별자

우선 이름: 1-(3,5-Bis(phenylmethoxy)phenyl)-2-bromoethan-1-one
IUPAC: 1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethanone
현지명: 1-[3,5-비스(페닐메톡시)페닐]-2-브로모에탄-1-온
영어명: 1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethan-1-one
분자식: C22H19BrO3
분자량: 411.29

이름 및 동의어

1-(3,5-Bis(phenylmethoxy)phenyl)-2-bromoethan-1-one1-[3,5-bis(phenylmethoxy)phenyl]-2-bromoethanoneEINECS 249-314-1B8WH676DPH1-[3,5-BIS(PHENYLMETHOXY)PHENYL]-2-BROMOETHAN-1-ONEDTXSID601831261-(3,5-Bis(phenylmethoxy)phenyl)-2-bromoethanoneEthanone, 1-(3,5-bis(phenylmethoxy)phenyl)-2-bromo-Ethanone, 1-[3,5-bis(phenylmethoxy)phenyl]-2-bromo-RefChem:74248DTXCID7010561728924-18-7

이름 더 보기

1-[3,5-비스(페닐메톡시)페닐]-2-브로모에탄-1-온Terbutaline-003TerbutalineImpurity47Terbutaline Impurity 3Terbutaline Impurity 7Terbutaline Impurity INT13',5'-dibenzyloxy-α-bromoacetophenone3',5'-Bis(benzyloxy)-2-broMo-acetophenone

2-Bromo-3',5'-dibenzyloxyacetphenone1-[3,5-bis(benzyloxy)phenyl]-2-bromoethanone1-(3,5-Bis(benzyloxy)phenyl)-2-bromoethanone1-(3,5-bis(benzyloxy)phenyl)-2-bromoethan-1-one2-bromo-1-[3,5-bis(phenylmethoxy)phenyl]ethanoneMFCD073691811-[3,5-bis(benzyloxy)phenyl]-2-bromoethan-1-oneTerbutaline Impurity 43

데이터베이스 식별자

CAS: 28924-18-7
PubChem CID: 120097
DTXSID: DTXSID60183126
UNII: B8WH676DPH
EC Number: 249-314-1
Nikkaji: J286.483E

물성

구조 계산 물성

XLogP: 5.3
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 8
무거운 원자 수: 26
형식 전하: 0
복잡도: 386

물리화학적 성질

녹는점: 84 · 84-86°C
끓는 점: 523.8 · 523.8±45.0 °C(Predicted)
밀도: 1.354 · 1.354±0.06 g/cm3(Predicted)
용해도: soluble in Dichloromethane, Ethyl Acetate, Methanol
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1S/C22H19BrO3/c23-14-22(24)19-11-20(25-15-17-7-3-1-4-8-17)13-21(12-19)26-16-18-9-5-2-6-10-18/h1-13H,14-16H2
InChIKey: JIQMOQSQAVBFLO-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC(OCC2=CC=CC=C2)=CC(OCC2=CC=CC=C2)=C1)CBr