Ethyl 3-(3-chlorophenyl)-5-methylisoxazole-4-carboxylate
기본 정보
- CAS
495417-28-2- 표준 SMILES
CCOC(=O)c1c(-c2cccc(Cl)c2)noc1C- InChIKey
YWBVNAYLXGTNGY-UHFFFAOYSA-N- 분자식
- C13H12ClNO3
- 평균 분자량
- 265.69 g/mol
- 단동위원소 질량
- 265.05057092
이름 및 식별자
- 우선 이름
- Ethyl 3-(3-chlorophenyl)-5-methylisoxazole-4-carboxylate
- IUPAC
- ethyl 3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
- 영어명
- 4-Isoxazolecarboxylicacid,3-(3-chlorophenyl)-5-methyl-,ethylester(9CI)
- 분자식
- C13H12ClNO3
- 분자량
- 265.69
이름 및 동의어
495417-28-2ETHYL 3-(3-CHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATEEthyl 3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylateMFCD119769784-Isoxazolecarboxylicacid,3-(3-chlorophenyl)-5-methyl-,ethylester(9CI)3-(3-Chloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid ethyl ester3-(3-Chlorophenyl)-5-methylisoxazole-4-carboxylic acid ethyl esterSCHEMBL2779302DTXSID60447775YWBVNAYLXGTNGY-UHFFFAOYSA-NSY331969DB-093938
이름 더 보기
4-Isoxazolecarboxylic acid, 3-(3-chlorophenyl)-5-methyl-, ethyl ester
ethyl 3-(3-chlorophenyl)-5-methyl-isoxazole-4-carboxylateETHYL3-(3-CHLOROPHENYL)-5-METHYLISOXAZOLE-4-CARBOXYLATE
데이터베이스 식별자
- CAS
495417-28-2- PubChem CID
- 10901525
- DTXSID
DTXSID60447775- Nikkaji
- J2.976.382H
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 52.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 300
관련 반응
13건
화합물 노트
불러오는 중…