6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One

HCID 120990CAS 1079-73-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1CCC(c2ccc(Cl)cc2)=NN1
InChIKey: AZDWIMWFLAIPIR-UHFFFAOYSA-N
분자식: C10H9ClN2O
평균 분자량: 208.64 g/mol
단동위원소 질량: 208.04034059

개요

6-(4-Chlorophenyl)-2,3,4,5-tetrahydropyridazin-3-one is an organochlorine compound.

이름 및 식별자

우선 이름: 6-(4-Chlorophenyl)-4,5-Dihydropyridazin-3(2H)-One
IUPAC: 3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-one
영어명: 2,3,4,5-Tetrahydro-6(4-chlorophenyl)-3(2H)-pyridazinone
분자식: C10H9ClN2O
분자량: 208.64

이름 및 동의어

6-(4-chlorophenyl)-4,5-dihydropyridazin-3(2H)-oneRefChem:539396108-796-21079-73-86-(4-chlorophenyl)-2,3,4,5-tetrahydropyridazin-3-one3-(4-chlorophenyl)-4,5-dihydro-1H-pyridazin-6-oneMFCD002763813(2H)-Pyridazinone, 4,5-dihydro-6-(4-chlorophenyl)-2,3,4,5-TETRAHYDRO-6(4-CHLOROPHENYL)-3(2H)-PYRIDAZINONE6-(4-chlorophenyl)-4,5-dihydro-3(2H)-pyridazinoneBRN 01633823-p-Chlorophenylpyridazin-6-one

이름 더 보기

Compound Fr13155TIMTEC-BB SBB0034623(2H)-Pyridazinone, 6-(4-chlorophenyl)-4,5-dihydro-6-(4-Chlorophenyl)-2,3,4,5-tetrahydro-3-pyridazinoneJRH-07003, 6-(4-Chlorophenyl)-4,5-dihydropyridazin-3(2H)-one, 97%

6-(4-chlorophenyl)-2,4,5-trihydropyridazin-3-one6-(4-chlorophenyl)4,5-dihydropyridazinoneMaybridge1_0011735-24-03-00251 (Beilstein Handbook Reference)6-(4-Chloro-phenyl)-4,5-dihydro-2H-pyridazin-3-oneorb3170035SCHEMBL8302890HMS544N07

데이터베이스 식별자

CAS: 1079-73-8
PubChem CID: 120990
DTXSID: DTXSID50148325
ChEBI: CHEBI:194677
EC Number: 108-796-2
Nikkaji: J480.029J

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 41.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 257

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical structure

물리화학적 성질

녹는점: 178 °C · 178 °C
밀도: 1.36 · 1.36±0.1 g/cm3(Predicted)
산도 계수 (pKa): 13.52 · 13.52±0.40(Predicted)
물리적 상태: solid
InChI: 1S/C10H9ClN2O/c11-8-3-1-7(2-4-8)9-5-6-10(14)13-12-9/h1-4H,5-6H2,(H,13,14)
InChIKey: AZDWIMWFLAIPIR-UHFFFAOYSA-N
SMILES: O=C1NN=C(CC1)C(C=C2)=CC=C2Cl