CAS 252977-54-1 7-Tert-butyl-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (HCID 11150884)

기본 정보

CAS: 252977-54-1
표준 SMILES: CC(C)(C)c1cc2nnc(-c3ccccc3F)n2nc1Cl
InChIKey: KXRSWXZVHQRQTP-UHFFFAOYSA-N
분자식: C15H14ClFN4
평균 분자량: 304.75 g/mol
단동위원소 질량: 304.0891023

이름 및 식별자

우선 이름: 7-Tert-butyl-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
IUPAC: 7-tert-butyl-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
영어명: 7-tert-butyl-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
분자식: C15H14ClFN4
분자량: 304.75

이름 및 동의어

252977-54-17-(tert-Butyl)-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine7-tert-butyl-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazineMFCD23136014C15H14ClFN4SCHEMBL2656762DTXSID40457059KXRSWXZVHQRQTP-UHFFFAOYSA-NAKOS025404865CS-W020468AS-48571SY241593

이름 더 보기

1008381,2,4-Triazolo[4,3-b]pyridazine,6-chloro-7-(1,1-dimethylethyl)-3-(2-fluorophenyl)-7-TERT-BUTYL-6-CHLORO-3-(2-FLUOROPHENYL)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE(WXG02064)

DB-253632F513187-tert-Butyl-6-chloro-3-(2-fluorophenyl)[1,2,4]triazolo[4,3-b]pyridazine6-chloro-7-(1,1-dimethylethyl)-3-(2-fluorophenyl)-1,2,4-triazolo[4,3-b]pyridazine7-(t-Butyl)-6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

데이터베이스 식별자

CAS: 252977-54-1
PubChem CID: 11150884
DTXSID: DTXSID40457059

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 21
형식 전하: 0
복잡도: 375

물리화학적 성질

밀도: 1.33 · 1.33±0.1 g/cm3(Predicted)
산도 계수 (pKa): -1.3 · -1.30±0.30(Predicted)

화학 및 산업

공급사9 곳

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