기본 정보
- CAS
275375-69-4- 표준 SMILES
O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1CCO- InChIKey
QESHSZWKJULSAR-UHFFFAOYSA-N- 분자식
- C18H13ClF3NO3
- 평균 분자량
- 383.7 g/mol
- 단동위원소 질량
- 383.0536055
이름 및 식별자
- 우선 이름
- Bms-223131
- IUPAC
- 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-one
이름 및 동의어
BMS-223131275375-69-4889F719S7K2(1H)-Quinolinone, 4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-6-(trifluoromethyl)-RefChem:120711BMS223131BMS 2231314-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-6-(trifluoromethyl)quinolin-2(1H)-oneCHEMBL222460UNII-889F719S7K4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-6-(trifluoromethyl)-1H-quinolin-2-oneSCHEMBL3269828
이름 더 보기
SCHEMBL30627537QESHSZWKJULSAR-UHFFFAOYSA-NBDBM50241125(+)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-6-(trifluoromethyl)quinolin-2(1H)-one(-)-4-(5-chloro-2-hydroxyphenyl)-3-(2-hydroxyethyl)-6-(trifluoromethyl)quinolin-2(1H)-one4-(5-Chloro-2-hydroxy-phenyl)-3-(2-hydroxy-ethyl)-6-trifluoromethyl-1H-quinolin-2-one
데이터베이스 식별자
- CAS
275375-69-4- PubChem CID
- 9951995
- ChEMBL
CHEMBL222460- UNII
- 889F719S7K
- Nikkaji
- J1.896.385J
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 69.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 581
관련 반응
1건
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