4-(에톡시카보닐)메톡시페닐보론산

Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetate

HCID 3464653CAS 269410-28-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIKey: IWVRBFCAALMWBP-UHFFFAOYSA-N
분자식: C16H23BO5
평균 분자량: 306.2 g/mol
단동위원소 질량: 306.16385424

이름 및 식별자

우선 이름: Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetate
IUPAC: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate
현지명: 4-(에톡시카보닐)메톡시페닐보론산
영어명: 4-(ETHOXYCARBONYL)METHOXYPHENYLBORONIC ACID
분자식: C16H23BO5
분자량: 306.16

이름 및 동의어

269410-28-8Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetate4-(2-Ethoxy-2-oxoethoxy)phenylboronic acid, pinacol esterEthyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetateMFCD066578864-(Ethoxycarbonyl)methoxyphenylboronic acidAKOS015960121AB257264-(2-Ethoxy-2-oxoethoxy)phenylboronic acid pinacol ester4-(ETHOXYCARBONYL)METHOXYPHENYLBORONIC ACID, PINACOL ESTEREthyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetateethyl (4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetate

이름 더 보기

4-(에톡시카보닐)메톡시페닐보론산ETHYLPHENOXYACETATE-4-BORONC ACID PINACOL ESTERETHYLPHENOXYACETATE-4-BORONIC ACID PINACOL ESTER4-(2-Ethoxy-2-oxoethoxy)phenylboronic acid,pinacol ester[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-acetic acid ethyl esterAcetic acid, 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-, ethyl ester

SCHEMBL473933DTXSID50392725BS-25355SY333941CS-0174555F87672F2131824-(2-ethoxy-2-oxoethoxy)phenylboronic acid, pinacol ester, AldrichCPR

데이터베이스 식별자

CAS: 269410-28-8
PubChem CID: 3464653
DTXSID: DTXSID50392725

물성

구조 계산 물성

극성 표면적: 54 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 6
무거운 원자 수: 22
형식 전하: 0
복잡도: 372

물리화학적 성질

저장 조건: 2 · 2-8°C
물리적 상태: solid
InChI: 1S/C16H23BO5/c1-6-19-14(18)11-20-13-9-7-12(8-10-13)17-21-15(2,3)16(4,5)22-17/h7-10H,6,11H2,1-5H3
InChIKey: IWVRBFCAALMWBP-UHFFFAOYSA-N
SMILES: B2(OC(C(O2)(C)C)(C)C)c1ccc(cc1)OCC(=O)OCC