Cas no 846-75-3 (Benzoic acid,3-fluoro-2-methyl-, (4-nitrophenyl)methyl ester)
846-75-3 structure
Product Name:Benzoic acid,3-fluoro-2-methyl-, (4-nitrophenyl)methyl ester
CAS No:846-75-3
MF:C15H12FNO4
MW:289.258487701416
CID:730037
PubChem ID:348417
Update Time:2025-04-19
Benzoic acid,3-fluoro-2-methyl-, (4-nitrophenyl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3-fluoro-2-methyl-, (4-nitrophenyl)methyl ester
- (4-nitrophenyl)methyl 3-fluoro-2-methylbenzoate
- NSC-407701
- 846-75-3
- DTXSID30324786
- NSC407701
-
- Inchi： 1S/C15H12FNO4/c1-10-13(3-2-4-14(10)16)15(18)21-9-11-5-7-12(8-6-11)17(19)20/h2-8H,9H2,1H3
- InChI Key： PGPUCANMEQTNJZ-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(C(=O)OCC2C=CC(=CC=2)[N+](=O)[O-])=C1C
Computed Properties
- Exact Mass: 289.07503603g/mol
- Monoisotopic Mass: 289.07503603g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 376
- 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: 3.6
- Topological Polar Surface Area: 72.1?2
Benzoic acid,3-fluoro-2-methyl-, (4-nitrophenyl)methyl ester Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
846-75-3 (Benzoic acid,3-fluoro-2-methyl-, (4-nitrophenyl)methyl ester) Related Products
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