CAS 352359-22-9 1-Boc-6-chloroindole-2-boronic acid (HCID 44119151)

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기본 정보

CAS: 352359-22-9
표준 SMILES: CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(Cl)cc21
InChIKey: AHUWHEZTYPWOCY-UHFFFAOYSA-N
분자식: C13H15BClNO4
평균 분자량: 295.53 g/mol
단동위원소 질량: 295.07826604

개요

See also: 6-Chloroindole-2-boronic acid (annotation moved to).

이름 및 식별자

우선 이름: 1-Boc-6-chloroindole-2-boronic acid
IUPAC: [6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
영어명: 1-(tert-Butoxycarbonyl)-6-chloro-1H-indol-2-ylboronic acid
분자식: C13H15BClNO4
분자량: 295.53

이름 및 동의어

352359-22-91-BOC-6-CHLOROINDOLE-2-BORONIC ACIDN-Boc-6-Chloro-1H-indol-2-ylboronic acid(1-(tert-Butoxycarbonyl)-6-chloro-1H-indol-2-yl)boronic acid1-(tert-butoxycarbonyl)-6-chloro-1H-indol-2-ylboronic acidMFCD08689539N-Boc-6-chloro-1H-indole-2-boronic acid[6-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid6-Chloroindole-2-boronic acid, N-BOC protected{1-[(tert-butoxy)carbonyl]-6-chloro-1H-indol-2-yl}boronic acid[1-(tert-butoxycarbonyl)-6-chloro-1h-indol-2-yl]boronic acidN-Boc-6-Chloro-1H-indol-2-ylboronicacid

이름 더 보기

N-BOC-6-CHLOROINDOLE-2-BORONIC ACID6-Chloroindole-2-boronicacid,N-BOCprotected98%6-Chloroindole-2-boronic acid, N-BOC protected 98%1-(tert-butoxycarbonyl)-6-chloroindol-2-ylboronic acid

1-(Tert-butoxycarbonyl)-6-chloro-1H-indol-2-yl-2-boronic acid1-BOC-6-CHLORO-2-INDOLEBORONIC ACIDSCHEMBL1605189SCHEMBL29951847DTXSID80657051AHUWHEZTYPWOCY-UHFFFAOYSA-NN-Boc-6-chloro-indoleboronic acidAKOS015836494

물성

구조 계산 물성

극성 표면적: 71.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 374

물리화학적 성질

녹는점: 110 · 110-113
끓는 점: 471.4 · 471.4±55.0 °C(Predicted)
밀도: 1.27 · 1.27±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 7.85 · 7.85±0.30(Predicted)