기본 정보
- 표준 SMILES
CCn1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc([N+](=O)[O-])cc2)n1- InChIKey
BNJLOSTYUZRZME-UHFFFAOYSA-N- 분자식
- C17H22BN3O4
- 평균 분자량
- 343.2 g/mol
이름 및 식별자
- 우선 이름
- 1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- IUPAC
- 1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
이름 및 동의어
942920-11-81-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazoleMFCD12400854SCHEMBL4305414C17H22BN3O4BNJLOSTYUZRZME-UHFFFAOYSA-NCS-M0101AKOS030621713CS-13313DA-29420SY355794
이름 더 보기
A50969F7884861-Ethyl-3-(4-nitrophenyl)-1H-pyrazole-4-boronic Acid Pinacol Ester1-Ethyl-3-(4-nitrophenyl)-pyrazole-4-boronic Acid Pinacol Ester1-ethyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole1-ethyl-3-(4-nitrophenyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole3-(4-nitrophenyl)-1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
데이터베이스 식별자
- PubChem CID
- 68995348
물성
구조 계산 물성
- 극성 표면적
- 82.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 487
관련 반응
40건
화합물 노트
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