Cas no 99057-98-4 (Benzenamine, 4-(4-bromo-3-methyl-1H-pyrazol-1-yl)-)
99057-98-4 structure
Product Name:Benzenamine, 4-(4-bromo-3-methyl-1H-pyrazol-1-yl)-
CAS No:99057-98-4
MF:C10H10BrN3
MW:252.110500812531
CID:4379458
PubChem ID:60055806
Update Time:2025-04-24
Benzenamine, 4-(4-bromo-3-methyl-1H-pyrazol-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 4-(4-bromo-3-methyl-1H-pyrazol-1-yl)-
- SCHEMBL6361439
- 4-Bromo-1-(4-aminophenyl)-3-methylpyrazole
- 99057-98-4
- ZDLIMTSJIAAEKQ-UHFFFAOYSA-N
- DB-117503
-
- Inchi： 1S/C10H10BrN3/c1-7-10(11)6-14(13-7)9-4-2-8(12)3-5-9/h2-6H,12H2,1H3
- InChI Key： ZDLIMTSJIAAEKQ-UHFFFAOYSA-N
- SMILES： C1(N)=CC=C(N2C=C(Br)C(C)=N2)C=C1
Computed Properties
- Exact Mass: 251.00581Da
- Monoisotopic Mass: 251.00581Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 192
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 43.8?2
Benzenamine, 4-(4-bromo-3-methyl-1H-pyrazol-1-yl)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
99057-98-4 (Benzenamine, 4-(4-bromo-3-methyl-1H-pyrazol-1-yl)-) Related Products
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