Methyl 2-(5-fluoro-2-methyl-1H-indol-1-yl)acetate

HCID 58247161

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 646515-44-8
표준 SMILES: COC(=O)Cn1c(C)cc2cc(F)ccc21
InChIKey: ZWOQVYJFIIITRV-UHFFFAOYSA-N
분자식: C12H12FNO2
평균 분자량: 221.23 g/mol
단동위원소 질량: 221.08520684

이름 및 식별자

우선 이름: Methyl 2-(5-fluoro-2-methyl-1H-indol-1-yl)acetate
IUPAC: methyl 2-(5-fluoro-2-methylindol-1-yl)acetate

이름 및 동의어

Methyl 2-(5-fluoro-2-methyl-1H-indol-1-yl)acetate646515-44-8SCHEMBL1422093DTXSID00728999ZWOQVYJFIIITRV-UHFFFAOYSA-NDB-297805Methyl (5-fluoro-2-methyl-1H-indol-1-yl)acetate(5-fluoro-2-methylindol-1-yl) acetic acid methyl ester(5-fluoro-2-methylindol-1-yl)acetic acid methyl ester5-fluoro-2-methyl-1H-indole-1-acetic acid methyl ester

데이터베이스 식별자

CAS: 646515-44-8
PubChem CID: 58247161
DTXSID: DTXSID00728999

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 31.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 272

관련 반응

75건

반응 기록 만들기

HRID 141897 반응식

HRID 141897반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 182014 반응식

HRID 182014생성물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 184160 반응식

HRID 184160반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 189625 반응식

HRID 189625반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 192359 반응식

HRID 192359반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 200913 반응식

HRID 200913반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 212020 반응식

HRID 212020반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 290821 반응식

HRID 290821반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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