Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 4962012생성일: 2026년 11월 4일
2-chloro-N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]acetamide
2-CHLORO-N-[3-CYANO-1-(4-FLUOROBENZYL)-4,5-DIMETHYL-1H-PYRROL-2-YL]ACETAMIDE · 2-chloro-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]acetamide · 2-Chloro-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl]acetamide · Acetamide, 2-chloro-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl]-
https://huagongshe.com/ko/chemical/4962012
식별자 및 물리적 특성
| CAS No. | 852400-31-8 |
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| 분자식 | C16H15ClFN3O |
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| 평균 분자량 | 319.76 g/mol |
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| 단동위원소 질량 | 319.088768 g/mol |
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| SMILES | Cc1c(C#N)c(NC(=O)CCl)n(Cc2ccc(F)cc2)c1C |
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| InChIKey | MIGWOHWMEGTJLT-UHFFFAOYSA-N |
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| PubChem CID | 4962012 |
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| ChEMBL | CHEMBL1302639 |
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| EC No. | 181-441-7 |
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화학 및 물리적 성질
| XLogP | 3.5 |
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| 극성 표면적 | 57.8 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 3 |
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| 회전 가능 결합 수 | 4 |
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| 무거운 원자 수 | 22 |
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| 형식 전하 | 0 |
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| 복잡도 | 444 |
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| 저장 조건 | Storage temp. 2-8°C |
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안전 및 규제
| GHS 분류 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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![2-chloro-N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-1H-pyrrol-2-yl]acetamide 분자 구조식](/img/chemical/4962012.png)