기본 정보
- CAS
310442-40-1- 표준 SMILES
COC(=O)c1cn2ncnc(Cl)c2c1C- InChIKey
VRETWQDNVUPEIR-UHFFFAOYSA-N- 분자식
- C9H8ClN3O2
- 평균 분자량
- 225.63 g/mol
- 단동위원소 질량
- 225.0305042
이름 및 식별자
- 우선 이름
- Methyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
- IUPAC
- methyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
- 현지명
- 4-클로로-5-메틸피롤로[2,1-f][1,2,4]트리아진-6-카르복실산메틸에스테르
- 영어명
- 4-Chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid methyl ester
- 분자식
- C9H8ClN3O2
- 분자량
- 225.63
이름 및 동의어
310442-40-1methyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylateMethyl 4-chloro-5-methylpyrrolo-[2,1-f][1,2,4]triazine-6-carboxylateSCHEMBL1228138DTXSID30620553VRETWQDNVUPEIR-UHFFFAOYSA-NMethyl4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylateMFCD10565690AKOS015949441PB16263Pyrrolo[2,1-f][1,2,4]triazine-6-carboxylicacid, 4-chloro-5-methyl-, methyl esterCS-0333167
이름 더 보기
4-클로로-5-메틸피롤로[2,1-f][1,2,4]트리아진-6-카르복실산메틸에스테르methyl 4-chloro-5- methylpyrrolo[1,2-f][1,2,4] triazine-6-carboxylate4-Chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid methyl esterPyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid, 4-chloro-5-methyl-, methyl ester
P109124-Chloro-5-methyl-6-carbomethoxypyrrolo[2,1-f][1,2,4]triazinemethyl 4-chloro-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate4-chloro-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid methyl esterMETHYL 4-CHLORO-5-METHYLPYRROLO[1,2-F][1,2,4]TRIAZINE-6-CARBOXYLATE
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 56.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 264
물리화학적 성질
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.72 · -3.72±0.30(Predicted)
화학 및 산업
공급사3 곳
斯派螺（武汉）药物研发有限公司[email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
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