6-Bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2(1H)-one

HCID 54578543

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1256578-99-0
표준 SMILES: COc1cc2c(cc1Br)CCC(=O)C2(C)C
InChIKey: BCYSBQVQSCOMEH-UHFFFAOYSA-N
분자식: C13H15BrO2
평균 분자량: 283.16 g/mol
단동위원소 질량: 282.02554182

이름 및 식별자

우선 이름: 6-Bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2(1H)-one
IUPAC: 6-bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-one
영어명: 6-broMo-7-Methoxy-1,1-diMethyl-3,4-dihydronaphthalen-2(1H)-one,
분자식: C13H15BrO2
분자량: 283.16

이름 및 동의어

1256578-99-06-bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2(1H)-oneDTXSID80712316RefChem:307613DTXCID906630626-bromo-7-methoxy-1,1-dimethyl-3,4-dihydronaphthalen-2-oneMFCD209249186-broMo-7-Methoxy-1,1-diMethyl-3,4-dihydronaphthalen-2(1H)-one,2(1H)-Naphthalenone, 6-bromo-3,4-dihydro-7-methoxy-1,1-dimethyl-6-Bromo-7-methoxy-1,1-dimethyl-3,4-dihydro-1H-naphthalen-2-one6-bromo-7-methoxy-1,1-dimethyl-1,2,3,4-tetrahydronaphthalen-2-oneBCYSBQVQSCOMEH-UHFFFAOYSA-N

이름 더 보기

Aletinib impurity 6Alectinib Impurity 56-broMo-7-Methoxy-1,1-diMethyl-3,4-dihydronaphthalen-2(1H)-on6-Bromo-3,4-dihydro-7-methoxy-1,1-dimethyl-2(1H)-naphthalenone

6-broMo-7-SCHEMBL897012CS-B0846AKOS015998747AS-71810SY060666DB-1079746-bromo-7-methoxy-1,1-dimethyl-tetralin-2-one

데이터베이스 식별자

CAS: 1256578-99-0
PubChem CID: 54578543
DTXSID: DTXSID80712316

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 288

물리화학적 성질

끓는 점: 354.7 · 354.7±42.0 °C(Predicted)
밀도: 1.339 · 1.339±0.06 g/cm3(Predicted)
InChI: InChI=1S/C13H15BrO2/c1-13(2)9-7-11(16-3)10(14)6-8(9)4-5-12(13)15/h6-7H,4-5H2,1-3H3
InChIKey: BCYSBQVQSCOMEH-UHFFFAOYSA-N
SMILES: C1(C)(C)C2=C(C=C(Br)C(OC)=C2)CCC1=O