기본 정보
- CAS
851195-35-2- 표준 SMILES
CCOC(=O)c1c(-c2ccc(Br)cc2)c(C#N)c(CC)n1C- InChIKey
JNGAPOXDIKOBTD-UHFFFAOYSA-N- 분자식
- C17H17BrN2O2
- 평균 분자량
- 361.2 g/mol
- 단동위원소 질량
- 360.04734
이름 및 식별자
- 우선 이름
- Ethyl 3-(4-bromophenyl)-4-cyano-5-ethyl-1-methyl-1h-pyrrole-2-carboxylate
- IUPAC
- ethyl 3-(4-bromophenyl)-4-cyano-5-ethyl-1-methylpyrrole-2-carboxylate
- 영어명
- ETHYL 3-(4-BROMOPHENYL)-4-CYANO-5-ETHYL-1-METHYL-1H-PYRROLE-2-CARBOXYLATE
- 분자식
- C17H17BrN2O2
- 분자량
- 361.23
이름 및 동의어
851195-35-2ethyl 3-(4-bromophenyl)-4-cyano-5-ethyl-1-methyl-1h-pyrrole-2-carboxylateethyl 3-(4-bromophenyl)-4-cyano-5-ethyl-1-methylpyrrole-2-carboxylate3-(4-bromo-phenyl)-4-cyano-5-ethyl-1-methyl-1h-pyrrole-2-carboxylic acid ethyl esterSCHEMBL4372272DTXSID40581267JNGAPOXDIKOBTD-UHFFFAOYSA-NSB62443DB-314526Ethyl 3-(4-bromophenyl)-4-cyano-5-ethyl-1-methyl-1 H-pyrrole-2-carboxylate3-(4-bromophenyl)-4-cyano-5-ethyl-1-methyl-2-pyrrolecarboxylic acid ethyl ester1H-Pyrrole-2-carboxylic acid, 3-(4-bromophenyl)-4-cyano-5-ethyl-1-methyl-, ethyl ester
이름 더 보기
Ethyl 3-(4-bromophenyl)-4-cyano-5-ethyl-1-methyl-1H-pyrrole-2-carboxylate, CAS 851195-35-2
데이터베이스 식별자
- CAS
851195-35-2- PubChem CID
- 16037629
- DTXSID
DTXSID40581267
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 55 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 439
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