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Methyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)propanoate

HCID 59599416
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기본 정보

CAS
877399-11-6
표준 SMILES
COC(=O)C(C)(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1
InChIKey
YRXGPNAUFJPKRO-UHFFFAOYSA-N
분자식
C14H23BN2O4
평균 분자량
294.16 g/mol
단동위원소 질량
294.1750874

이름 및 식별자

우선 이름
Methyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)propanoate
IUPAC
methyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanoate
영어명
methyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate
분자식
C14H23BN2O4
분자량
294.15

이름 및 동의어

877399-11-6Methyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-1-yl)propanoateMFCD225722782-Methyl-2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-propionic acid methyl estermethyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanoatemethyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propanoateSCHEMBL1582383YRXGPNAUFJPKRO-UHFFFAOYSA-NAT12005AS-96314SY326317CS-0176871
이름 더 보기
1H-Pyrazole-1-acetic acid, α,α-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester
F691934A1-02531[1-(1-Methoxy-2-methyl-1-oxopropan-2-yl)-1H-pyrazol-4-yl]boronic Acid Pinacol Ester1-(1-Methoxy-2-methyl-1-oxo-2-propyl)-1H-pyrazole-4-boronic Acid Pinacol Ester2-methyl-2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl] propionic acid methyl ester2-methyl-2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]propionic acid methyl ester2-methyl-2-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)pyrazol-1-yl]-propionic acid methyl ester2-Methyl-2-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)pyrazol-1-yl]propionic acid methyl ester

데이터베이스 식별자

CAS
877399-11-6
PubChem CID
59599416

물성

구조 계산 물성

극성 표면적
62.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
4
무거운 원자 수
21
형식 전하
0
복잡도
409

관련 반응

10건
반응 기록 만들기
HRID 689433 반응식
HRID 689433반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 819679 반응식
HRID 819679생성물로Test data from https://doi.org/10.1039/C8SC04228D
HRID 1627548 반응식
HRID 1627548생성물로uspto-grants-2014_07
HRID 1627549 반응식
HRID 1627549반응물로uspto-grants-2014_07
HRID 2046935 반응식
HRID 2046935반응물로uspto-grants-2013_11
HRID 2046936 반응식
HRID 2046936생성물로uspto-grants-2013_11
HRID 2046946 반응식
HRID 2046946반응물로uspto-grants-2013_11
HRID 2160154 반응식
HRID 2160154반응물로Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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