Cas no 712309-05-2 (Benzamide,N-(2,6-dimethyl-4-pyrimidinyl)-3-fluoro-)
712309-05-2 structure
Product Name:Benzamide,N-(2,6-dimethyl-4-pyrimidinyl)-3-fluoro-
CAS No:712309-05-2
MF:C13H12FN3O
MW:245.252285957336
CID:558008
PubChem ID:3549498
Update Time:2025-04-19
Benzamide,N-(2,6-dimethyl-4-pyrimidinyl)-3-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-(2,6-dimethyl-4-pyrimidinyl)-3-fluoro-
- Benzamide, N-(2,6-dimethyl-4-pyrimidinyl)-3-fluoro- (9CI)
- N-(2,6-dimethylpyrimidin-4-yl)-3-fluorobenzamide
- AG-G-78876
- AKOS024384237
- 712309-05-2
- DTXSID40393549
-
- Inchi： 1S/C13H12FN3O/c1-8-6-12(16-9(2)15-8)17-13(18)10-4-3-5-11(14)7-10/h3-7H,1-2H3,(H,15,16,17,18)
- InChI Key： CUAVVXBXIFOTRH-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1)C(NC1C=C(C)N=C(C)N=1)=O
Computed Properties
- Exact Mass: 245.09656
- Monoisotopic Mass: 245.096
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 300
- 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: 54.9?2
Experimental Properties
- PSA: 54.88
Benzamide,N-(2,6-dimethyl-4-pyrimidinyl)-3-fluoro- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Jason Wan Lab Chip, 2020,20, 4528-4538
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