(2-부틸-5-니트로벤조푸란-3-일)(4-메톡시페닐)메타논

(2-Butyl-5-nitrobenzofuran-3-yl)(4-methoxyphenyl)methanone

HCID 22595055

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 141627-42-1
표준 SMILES: CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(OC)cc1
InChIKey: WYALRXZJYXWYGR-UHFFFAOYSA-N
분자식: C20H19NO5
평균 분자량: 353.4 g/mol
단동위원소 질량: 353.12632271

이름 및 식별자

우선 이름: (2-Butyl-5-nitrobenzofuran-3-yl)(4-methoxyphenyl)methanone
IUPAC: (2-butyl-5-nitro-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
현지명: (2-부틸-5-니트로벤조푸란-3-일)(4-메톡시페닐)메타논
영어명: (2-Butyl-5-nitrobenzofuran-3-yl)(4-methoxyphenyl)methanone
분자식: C20H19NO5
분자량: 353.37

이름 및 동의어

141627-42-1(2-Butyl-5-nitrobenzofuran-3-yl)(4-methoxyphenyl)methanone2-butyl-3-(4-methoxybenzoyl)-5-nitrobenzofuranMFCD14525623Methanone, (2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)-(2-butyl-5-nitro-1-benzofuran-3-yl)-(4-methoxyphenyl)methanoneSCHEMBL422204DTXSID90626718CS-M0181DS-179432-n-butyl-3-(4-methoxybenzoyl)-5-nitrobenzofuran2-n-butyl-3-(4-methoxy-benzoyl)-5-nitro-benzofuran

이름 더 보기

(2-부틸-5-니트로벤조푸란-3-일)(4-메톡시페닐)메타논Dronedaron Impurity EDronedarone Impurity EDronedarone Impurity 22Dronedarone Impurity SM1-F (Impurity 5)(2-butyl-5-nitro-3-benzofuranyl)(4-methoxyphenyl)Methanone2-butyl-3-[(4-Methoxyphenyl)carbonyl]-5-nitro-1-benzofuran

SCHEMBL283212orb3144276(2-butyl-5-nitro-benzofuran-3-yl)-(4-methoxyphenyl)methanoneCL4580TYD-03617AKOS015901847AC-25776SY106264

데이터베이스 식별자

CAS: 141627-42-1
PubChem CID: 22595055
DTXSID: DTXSID90626718
Nikkaji: J3.309.676C

물성

구조 계산 물성

XLogP: 5.2
극성 표면적: 85.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 26
형식 전하: 0
복잡도: 497

물리화학적 성질

끓는 점: 537.7 · 537.7±50.0 °C(Predicted)
밀도: 1.234 · 1.234±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
InChI: InChI=1S/C20H19NO5/c1-3-4-5-18-19(20(22)13-6-9-15(25-2)10-7-13)16-12-14(21(23)24)8-11-17(16)26-18/h6-12H,3-5H2,1-2H3
InChIKey: WYALRXZJYXWYGR-UHFFFAOYSA-N
SMILES: C(C1C2=CC([N+]([O-])=O)=CC=C2OC=1CCCC)(C1=CC=C(OC)C=C1)=O