CAS 1152-48-3 (2E)-1-(4-Nitrophenyl)-3-phenyl-2-propen-1-one (HCID 5291959)

기본 정보

CAS: 1152-48-3
표준 SMILES: O=C(/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIKey: QLXBMZAOTHBHSM-IZZDOVSWSA-N
분자식: C15H11NO3
평균 분자량: 253.25 g/mol
단동위원소 질량: 253.07389321

이름 및 식별자

우선 이름: (2E)-1-(4-Nitrophenyl)-3-phenyl-2-propen-1-one
IUPAC: (E)-1-(4-nitrophenyl)-3-phenylprop-2-en-1-one
영어명: (2E)-1-(4-Nitrophenyl)-3-phenyl-2-propene-1-one
분자식: C15H11NO3
분자량: 253.25

이름 및 동의어

20432-02-4(2E)-1-(4-Nitrophenyl)-3-phenyl-2-propen-1-oneDTXSID101246917RefChem:1049751DTXCID1016777521-(4-nitrophenyl)-3-phenylprop-2-en-1-one1152-48-3(E)-1-(4-Nitrophenyl)-3-phenyl-2-propen-1-onetrans-4'-Nitrochalcone4'-Nitrochalcone(E)-1-(4-nitrophenyl)-3-phenylprop-2-en-1-one(2E)-1-(4-nitrophenyl)-3-phenylprop-2-en-1-one

이름 더 보기

2-Propen-1-one, 1-(4-nitrophenyl)-3-phenyl-, (2E)-2-Propen-1-one, 1-(4-nitrophenyl)-3-phenyl-, (E)- (9ci)

Chalcone, 4'-nitro-, (E)-MFCD00044848(2E)-1-(4-Nitrophenyl)-3-phenyl-2-propene-1-one2-Propen-1-one, 1-(4-nitrophenyl)-3-phenyl-, (E)-CHEMBL2861512-Propen-1-one, 1-(4-nitrophenyl)-3-phenyl-ST051246MLS002637682

데이터베이스 식별자

CAS: 1152-48-3、20432-02-4
PubChem CID: 5291959
DTXSID: DTXSID101246917
ChEMBL: CHEMBL286151
Nikkaji: J124.895B、J148.051K

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 62.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 19
형식 전하: 0
복잡도: 345

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 146 · 146-147 °C
끓는 점: 441 · 441.0±45.0 °C(Predicted)
밀도: 1 · 1+-.0.06 g/cm3(Predicted)

화학 및 산업

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