Cas no 97557-59-0 (Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester)
97557-59-0 structure
Product Name:Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester
CAS No:97557-59-0
MF:C15H13NO5
MW:287.267424345016
CID:751011
PubChem ID:2734072
Update Time:2025-04-19
Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester
- (4-methylphenyl)methyl (4-nitrophenyl) carbonate
- 97557-59-0
- DTXSID30370107
- SCHEMBL4112112
-
- Inchi： 1S/C15H13NO5/c1-11-2-4-12(5-3-11)10-20-15(17)21-14-8-6-13(7-9-14)16(18)19/h2-9H,10H2,1H3
- InChI Key： SQARJUVHPHSOSH-UHFFFAOYSA-N
- SMILES： O(C(=O)OC1C=CC(=CC=1)[N+](=O)[O-])CC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 287.07937252g/mol
- Monoisotopic Mass: 287.07937252g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 352
- 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: 3.8
- Topological Polar Surface Area: 81.4?2
Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
97557-59-0 (Carbonic acid, (4-methylphenyl)methyl 4-nitrophenyl ester) Related Products
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