CAS 174180-43-9 tert-butyl 6-fluoro-3-methyl-1H-indazole-1-carboxylate (HCID 53779261)

기본 정보

CAS: 174180-43-9
표준 SMILES: Cc1nn(C(=O)OC(C)(C)C)c2cc(F)ccc12
InChIKey: DUCCZQPTYHOBJG-UHFFFAOYSA-N
분자식: C13H15FN2O2
평균 분자량: 250.27 g/mol
단동위원소 질량: 250.11175594

이름 및 식별자

우선 이름: tert-butyl 6-fluoro-3-methyl-1H-indazole-1-carboxylate
IUPAC: tert-butyl 6-fluoro-3-methylindazole-1-carboxylate
현지명: tert-부틸6-플루오로-3-메틸-1H-인다졸-1-카르복실레이트
영어명: tert-butyl 6-fluoro-3-methyl-1H-indazole-1-carboxylate
분자식: C13H15FN2O2
분자량: 250.27

이름 및 동의어

174180-43-9tert-butyl 6-fluoro-3-methyl-1H-indazole-1-carboxylatetert-butyl 6-fluoro-3-methylindazole-1-carboxylate1H-Indazole-1-carboxylic acid, 6-fluoro-3-methyl-, 1,1-dimethylethyl esterSCHEMBL8212259tert-Butyl6-fluoro-3-methyl-1H-indazole-1-carboxylateDTXSID70706603DUCCZQPTYHOBJG-UHFFFAOYSA-NDB-0649476-Fluoro-3-methyl-indazole-1-carboxylic acid tert-butyl estertert-부틸6-플루오로-3-메틸-1H-인다졸-1-카르복실레이트1,1-Dimethylethyl 6-fluoro-3-methyl-1H-indazole-1-carboxylate

데이터베이스 식별자

CAS: 174180-43-9
PubChem CID: 53779261
DTXSID: DTXSID70706603

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 329

물리화학적 성질

끓는 점: 349.3 · 349.3±34.0 °C(Predicted)
밀도: 1.19 · 1.19±0.1 g/cm3(Predicted)
산도 계수 (pKa): -1.16 · -1.16±0.50(Predicted)

화학 및 산업

공급사10 곳

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