기본 정보
- CAS
606143-46-8- 표준 SMILES
COC(=O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1Cl- InChIKey
UQHKKVOOPYVHAL-UHFFFAOYSA-N- 분자식
- C15H10BrClFN3O2
- 평균 분자량
- 398.61 g/mol
- 단동위원소 질량
- 396.96289456
이름 및 식별자
- 우선 이름
- Methyl 6-((4-bromo-2-chlorophenyl)amino)-7-fluoro-1H-benzo[d]imidazole-5-carboxylate
- IUPAC
- methyl 6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazole-5-carboxylate
- 영어명
- Methyl 6-(4-broMo-2-chlorophenylaMino)-7-fluoro-1H-benzo[d]iMidazole-5-carboxylate
- 분자식
- C15H10BrClFN3O2
- 분자량
- 398.61
이름 및 동의어
606143-46-8Methyl 6-((4-bromo-2-chlorophenyl)amino)-7-fluoro-1H-benzo[d]imidazole-5-carboxylatemethyl 6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazole-5-carboxylateMethyl6-((4-bromo-2-chlorophenyl)amino)-7-fluoro-1H-benzo[d]imidazole-5-carboxylateMethyl 6-(4-broMo-2-chlorophenylaMino)-7-fluoro-1H-benzo[d]iMidazole-5-carboxylatemethyl 6-(4-bromo-2-chlorophenylamino)-7-fluoro-3H-benzo[d]imidazole-5-carboxylateSCHEMBL1037390SCHEMBL8059139SCHEMBL30886595DTXSID30471880UQHKKVOOPYVHAL-UHFFFAOYSA-NDB-334886
이름 더 보기
*Fenthion Impurity 15-13C6methyl 5-(4-bromo-2-chlorophenylamino)-4-fluoro-1H-benzo[d]imidazole-6-carboxylateMethyl 6-((2-chloro-4-bromophenyl)amino)-7-fluoro-1H-benzo[d]imidazol-5-carboxylate1H-Benzimidazole-5-carboxylic acid, 6-[(4-bromo-2-chlorophenyl)amino]-7-fluoro-, methyl ester6-((4-Bromo-2-Chlorophenyl)amino)-7-Fluoro-1H-Benzo[d]Imidazole-5-carboxylic acid methyl ester6-[(4-bromo-2-chlorophenyl)amino]-7-fluoro-1H-Benzimidazole-5-carboxylic acid methyl ester (9CI ACI)1H-Benzimidazole-5-carboxylic acid, 6-[(4-bromo-2-chlorophenyl)amino]-7-fluoro-, methyl ester (9CI, ACI)
6-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3H-benzoimidazole-5-carboxylic acid methyl esterMethyl 5-(4-bromo-2-chloroanilino)-4-fluoro-1H-1,3-benzimidazole-6-carboxylate
데이터베이스 식별자
- CAS
606143-46-8- PubChem CID
- 11749905
- DTXSID
DTXSID30471880
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 67 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 447
물리화학적 성질
- 끓는 점
- 539 · 539.0±50.0 °C(Predicted)
- 밀도
- 1.722 · 1.722±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 10.14 · 10.14±0.30(Predicted)
화학 및 산업
공급사17 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
Hangzhou Proserre Chemical Co.,Ltd.+86-571-86088112 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
ANHUI CHICO CHEMICAL CO., LTD.13057662806 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
관련 반응
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