CAS 112779-13-2 ethyl 1-tert-butyl-5-chloro-1H-pyrazole-4-carboxylate (HCID 13809947)

기본 정보

CAS: 112779-13-2
표준 SMILES: CCOC(=O)c1cnn(C(C)(C)C)c1Cl
InChIKey: UGWXIBZPXNDLSS-UHFFFAOYSA-N
분자식: C10H15ClN2O2
평균 분자량: 230.69 g/mol
단동위원소 질량: 230.0822054

이름 및 식별자

우선 이름: ethyl 1-tert-butyl-5-chloro-1H-pyrazole-4-carboxylate
IUPAC: ethyl 1-tert-butyl-5-chloropyrazole-4-carboxylate
현지명: 에틸1-tert-부틸-5-클로로-1H-피라졸-4-카르복실레이트
영어명: ethyl 1-tert-butyl-5-chloro-1H-pyrazole-4-carboxylate
분자식: C10H15ClN2O2
분자량: 230.69

이름 및 동의어

112779-13-2Ethyl 1-(tert-butyl)-5-chloro-1H-pyrazole-4-carboxylateethyl 1-tert-butyl-5-chloro-1H-pyrazole-4-carboxylateethyl 1-tert-butyl-5-chloropyrazole-4-carboxylateMFCD172061481-TERT-BUTYL-5-CHLORO-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTERethyl 1-tert-butyl-5-chloro-pyrazole-4-carboxylateSCHEMBL1406972DTXSID50550166UGWXIBZPXNDLSS-UHFFFAOYSA-NAKOS015899943AS-69361

이름 더 보기

에틸1-tert-부틸-5-클로로-1H-피라졸-4-카르복실레이트Ethyl 1-(tert-butyl)-5-chloro-1H-pyrazole-4-carboxylateEthyl 5-chloro-1-(1,1-dimethylethyl)-1H-pyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 5-chloro-1-(1,1-dimethylethyl)-, ethyl ester

DB-060240CS-0037395W11479Ethyl 1-(t-butyl)-5-chloro-1H-pyrazole-4-carboxylateEthyl1-(tert-butyl)-5-chloro-1H-pyrazole-4-carboxylate

데이터베이스 식별자

CAS: 112779-13-2
PubChem CID: 13809947
DTXSID: DTXSID50550166

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 240

물리화학적 성질

끓는 점: 300 ℃ · 300℃
밀도: 1.17 · 1.17
인화점: 136 ℃ · 136℃

화학 및 산업

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