기본 정보
- 표준 SMILES
COc1cccc(-c2nc(CI)c(C)o2)c1- InChIKey
XJKVVHCZKAADFP-UHFFFAOYSA-N- 분자식
- C12H12INO2
- 평균 분자량
- 329.13 g/mol
- 단동위원소 질량
- 328.99128
이름 및 식별자
- 우선 이름
- 4-Iodomethyl-2-(3-methoxyphenyl)-5-methyloxazole
- IUPAC
- 4-(iodomethyl)-2-(3-methoxyphenyl)-5-methyl-1,3-oxazole
이름 및 동의어
501362-93-24-iodomethyl-2-(3-methoxyphenyl)-5-methyloxazoleOxazole,4-(iodomethyl)-2-(3-methoxyphenyl)-5-methyl-SCHEMBL1047010XJKVVHCZKAADFP-UHFFFAOYSA-N2-(3-methoxyphenyl)4-iodomethyl-5-methyloxazole2-(3-methoxyphenyl)-4-iodomethyl-5-methyloxazole4-iodomethyl-5-methyl-2-(3-methoxyphenyl)oxazole4-iodomethyl-2-(3-methoxy-phenyl)-5-methyloxazole4-(Iodomethyl)-2-(3-methoxyphenyl)-5-methyloxazole4-(iodomethyl)-2-(3-methoxyphenyl)-5-methyl-1,3-oxazole
데이터베이스 식별자
- PubChem CID
- 21980316
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 35.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 227
관련 반응
8건
화합물 노트
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