Cas no 13618-35-4 (Zinc03848355)
Zinc03848355 structure
Product Name:Zinc03848355
CAS No:13618-35-4
MF:C11H12N2
MW:172.226382255554
CID:2771650
PubChem ID:2753112
Update Time:2025-04-21
Zinc03848355 Chemical and Physical Properties
Names and Identifiers
-
- DTXCID10323999
- pyrazole, 3(5),4-dimethyl-5(3)-phenyl-
- BNROKPZXXLRARR-UHFFFAOYSA-N
- DTXSID10372967
- SCHEMBL873201
- 13618-35-4
- 1H-Pyrazole, 3,4-dimethyl-5-phenyl-
- AKOS004907850
- ZINC03848355
- 4,5-dimethyl-3-phenylpyrazole
- Dimethylphenylpyrazol
- AKOS006370175
- SCHEMBL11622606
- 3,4-dimethyl-5-phenylpyrazole
- Zinc03848355
-
- Inchi: 1S/C11H12N2/c1-8-9(2)12-13-11(8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
- InChI Key: BNROKPZXXLRARR-UHFFFAOYSA-N
- SMILES: N1C(C)=C(C)C(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 172.100048391Da
- Monoisotopic Mass: 172.100048391Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 2.6
- Topological Polar Surface Area: 28.7?2
Zinc03848355 Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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