Cas no 62621-11-8 (Benzoic acid, 2-methyl-4-nitro-, 1-methylethyl ester)
62621-11-8 structure
Product Name:Benzoic acid, 2-methyl-4-nitro-, 1-methylethyl ester
CAS No:62621-11-8
MF:C11H13NO4
MW:223.225223302841
CID:437701
PubChem ID:62738059
Update Time:2025-04-19
Benzoic acid, 2-methyl-4-nitro-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-methyl-4-nitro-, 1-methylethyl ester
- propan-2-yl 2-methyl-4-nitrobenzoate
- DTXSID20734456
- 62621-11-8
- AKOS012031243
-
- Inchi： 1S/C11H13NO4/c1-7(2)16-11(13)10-5-4-9(12(14)15)6-8(10)3/h4-7H,1-3H3
- InChI Key： HVAVFDHRABCTLW-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1C)[N+](=O)[O-])=O)C(C)C
Computed Properties
- Exact Mass: 223.08449
- Monoisotopic Mass: 223.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 272
- 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: 2.8
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- PSA: 69.44
Benzoic acid, 2-methyl-4-nitro-, 1-methylethyl ester Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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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
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
62621-11-8 (Benzoic acid, 2-methyl-4-nitro-, 1-methylethyl ester) Related Products
- 77324-87-9(Methyl 2-methyl-5-nitrobenzoate)
- 5466-84-2(4-Nitrophthalic anhydride)
- 14786-27-7(Benzyl 4-Nitrobenzoate)
- 610-93-5(6-Nitrophthalide)
- 618-71-3(Ethyl 3,5-dinitrobenzoate)
- 5342-97-2(tert-butyl 3,5-dinitrobenzoate)
- 610-22-0(1,2-Dimethyl 4-nitrophthalate)
- 99-77-4(ethyl-P-nitrobenzoate)
- 618-98-4(Ethyl 3-nitrobenzoate)
- 62621-09-4(methyl 2-methyl-4-nitro-benzoate)
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