4-(5-broMo-2-클로로벤질)페놀

4-((5-Bromo-2-chlorophenyl)methyl)phenol

HCID 57423751CAS 864070-18-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Oc1ccc(Cc2cc(Br)ccc2Cl)cc1
InChIKey: CSQCYSDEAYXXTN-UHFFFAOYSA-N
분자식: C13H10BrClO
평균 분자량: 297.57 g/mol
단동위원소 질량: 295.96035472

이름 및 식별자

우선 이름: 4-((5-Bromo-2-chlorophenyl)methyl)phenol
IUPAC: 4-[(5-bromo-2-chlorophenyl)methyl]phenol
현지명: 4-(5-broMo-2-클로로벤질)페놀
영어명: 4-(5-broMo-2-chlorobenzyl)phenol
분자식: C13H10BrClO
분자량: 297.57

이름 및 동의어

864070-18-84-[(5-BROMO-2-CHLOROPHENYL)METHYL]PHENOL3G63F9YG2WDTXSID407263384-((5-Bromo-2-chlorophenyl)methyl)phenolRefChem:1069662DTXCID906770834-(5-Bromo-2-chlorobenzyl)phenolPhenol, 4-[(5-bromo-2-chlorophenyl)methyl]-MFCD194411454-[(5-bromo-2-chloro-phenyl)methyl]phenolSCHEMBL17842

이름 더 보기

4-(5-broMo-2-클로로벤질)페놀Dapagliflozin Impurity 394-(2-Chlorobenzoyl)phenol4-[(5-bromo-2-chlorophenyl)methyl]-Phenol4-(5-Bromo-2-chlorobenzyl)phenol (Dapagliflozin Impurity)4-(5-Bromo-2-chlorobenzyl)phenolQ: What is 4-(5-Bromo-2-chlorobenzyl)phenol Q: What is the CAS Number of 4-(5-Bromo-2-chlorobenzyl)phenol Q: What is the storage condition of 4-(5-Bromo-2-chlorobenzyl)phenol Q: What are the applications of 4-(5-Bromo-2-chlorobenzyl)phenol

SCHEMBL29816996CSQCYSDEAYXXTN-UHFFFAOYSA-N4- (5-Bromo chlorobenzyl) phenol4-5-Bromo-2-ChIorobenzyI Phenol4-(5-bromo-2-chloro-benzyl)-phenolAKOS016008069FB76123SB17546

데이터베이스 식별자

CAS: 864070-18-8
PubChem CID: 57423751
DTXSID: DTXSID40726338
UNII: 3G63F9YG2W

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 216

물리화학적 성질

끓는 점: 401.3 · 401.3±35.0 °C(Predicted)
밀도: 1.522 · 1.522±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 10.14 · 10.14±0.15(Predicted)
InChI: InChI=1S/C13H10BrClO/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h1-6,8,16H,7H2
InChIKey: CSQCYSDEAYXXTN-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(CC2=CC(Br)=CC=C2Cl)C=C1