기본 정보
- 표준 SMILES
Cc1ccc(-c2nc(CI)c(C)o2)cc1- InChIKey
AONKVWHDUVHQSZ-UHFFFAOYSA-N- 분자식
- C12H12INO
- 평균 분자량
- 313.13 g/mol
- 단동위원소 질량
- 312.99636
이름 및 식별자
- 우선 이름
- 2-(4-Methylphenyl)-4-iodomethyl-5-methyloxazole
- IUPAC
- 4-(iodomethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole
이름 및 동의어
501363-00-44-(Iodomethyl)-5-methyl-2-(p-tolyl)oxazole2-(4-methylphenyl)-4-iodomethyl-5-methyloxazoleOxazole,4-(iodomethyl)-5-methyl-2-(4-methylphenyl)-SCHEMBL1048006AONKVWHDUVHQSZ-UHFFFAOYSA-N4-iodomethyl-5-methyl-2-p-tolyloxazole5-methyl-2-p-tolyloxazol-4-ylmethyl iodide5-methyl-2-p-tolyloxazol-4-yl-methyl iodide4-iodomethyl-5-methyl-2-(4 methylphenyl)oxazole4-(iodomethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole
데이터베이스 식별자
- PubChem CID
- 21980311
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 26 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 204
관련 반응
12건
화합물 노트
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