기본 정보
- 표준 SMILES
COC(=O)c1cc(Br)c(Br)n1C- InChIKey
UTOZAUBXQWRZIF-UHFFFAOYSA-N- 분자식
- C7H7Br2NO2
- 평균 분자량
- 296.94 g/mol
이름 및 식별자
- 우선 이름
- Methyl 4,5-Dibromo-1-Methylpyrrole-2-Carboxylate
- IUPAC
- methyl 4,5-dibromo-1-methylpyrrole-2-carboxylate
이름 및 동의어
methyl 4,5-dibromo-1-methylpyrrole-2-carboxylateRefChem:157538Methyl-45-dibromocarboxylate methyl esterMethyl-45-dibromocarboxylic acid methyl esterMethyl 4,5-dibromo-1-methylpyrrole-2-carboxylic acidMethyl 4,5-dibromo-1-methyl-1H-pyrrole-2-carboxylic acid1198-71-6MFCD25956429methyl 4,5-dibromo-1-methyl-1H-pyrrole-2-carboxylate1H-Pyrrole-2-carboxylic acid, 4,5-dibromo-1-methyl-, methyl esterMethyl 45-Dibromo-1-methylpyrrole-2-carboxylateNSC622156
이름 더 보기
Methyl4,5-Dibromo-1-methylpyrrole-2-carboxylateCHEMBL598919SCHEMBL1518390UTOZAUBXQWRZIF-UHFFFAOYSA-NAC2432AKOS027256710NSC-622156SB62495
데이터베이스 식별자
- PubChem CID
- 360185
- ChEMBL
CHEMBL598919
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 31.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 188
관련 반응
6건
화합물 노트
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