3-Hydroxy-5-(trifluoromethyl)phenylacetic acid

HCID 69065624

기본 정보

표준 SMILES: O=C(O)Cc1cc(O)cc(C(F)(F)F)c1
InChIKey: TZHCBFDHJDEEOS-UHFFFAOYSA-N
분자식: C9H7F3O3
평균 분자량: 220.14 g/mol

이름 및 식별자

우선 이름: 3-Hydroxy-5-(trifluoromethyl)phenylacetic acid
IUPAC: 2-[3-hydroxy-5-(trifluoromethyl)phenyl]acetic acid

이름 및 동의어

721948-42-12-(3-Hydroxy-5-(trifluoromethyl)phenyl)acetic acid3-HYDROXY-5-(TRIFLUOROMETHYL)PHENYLACETIC ACID2-[3-hydroxy-5-(trifluoromethyl)phenyl]acetic acidSCHEMBL4494395AB75645[3-hydroxy-5-(trifluoromethyl)phenyl]acetic acid

데이터베이스 식별자

PubChem CID: 69065624

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 239

관련 반응

33건

반응 기록 만들기

HRID 124946반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 138832반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 167390반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 173578반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 183882반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 680489반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 685688반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 952300반응물로Validation data from https://doi.org/10.1039/C8SC04228D

연결된 노트

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