Cas no 13756-40-6 (Benzoicacid, 4-nitro-, 1-methylethyl ester)
13756-40-6 structure
Product Name:Benzoicacid, 4-nitro-, 1-methylethyl ester
CAS No:13756-40-6
MF:C10H11NO4
MW:209.198642969131
CID:235639
PubChem ID:242282
Update Time:2025-04-19
Benzoicacid, 4-nitro-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoicacid, 4-nitro-, 1-methylethyl ester
- 4-NITRO-BENZOIC ACID ISOPROPYL ESTER
- propan-2-yl 4-nitrobenzoate
- 4-Nitrobenzoic acid, isopropyl ester
- Benzoic acid, 4-nitro, isopropyl ester
- Isopropyl 4-nitrobenzoate
- NSC-50762
- Isopropyl4-nitrobenzoate
- 13756-40-6
- SCHEMBL4809726
- AKOS000420975
- JSZSPHFHMMXJEU-UHFFFAOYSA-N
- NSC50762
- SR-01000631398-1
- Benzoic acid, 4-nitro-, 1-methylethyl ester
- DTXSID70287381
- CCG-41311
- CS-0334292
- p-Nitrobenzoesaureisopropylester
-
- MDL： MFCD00114618
- Inchi： 1S/C10H11NO4/c1-7(2)15-10(12)8-3-5-9(6-4-8)11(13)14/h3-7H,1-2H3
- InChI Key： JSZSPHFHMMXJEU-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)[N+](=O)[O-])=O)C(C)C
Computed Properties
- Exact Mass: 209.06883
- Monoisotopic Mass: 209.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 238
- 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
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- PSA: 69.44
- LogP: 2.68320
Benzoicacid, 4-nitro-, 1-methylethyl ester Related Literature
-
A. C. Hopkinson J. Chem. Soc. B 1969 203
-
Soumen Dey,Sunita K. Gadakh,A. Sudalai Org. Biomol. Chem. 2015 13 10631
13756-40-6 (Benzoicacid, 4-nitro-, 1-methylethyl ester) Related Products
- 14786-27-7(Benzyl 4-Nitrobenzoate)
- 618-71-3(Ethyl 3,5-dinitrobenzoate)
- 147290-67-3(Benzoic acid,3-methyl-4-nitro-, 1,1-dimethylethyl ester)
- 13290-96-5(Dimethyl 5-nitroisophthalate)
- 619-50-1(Methyl 4-nitrobenzoate)
- 1955-46-0(Methyl 5-Nitroisophthalate)
- 5342-97-2(tert-butyl 3,5-dinitrobenzoate)
- 618-95-1(Methyl 3-nitrobenzoate)
- 99-77-4(ethyl-P-nitrobenzoate)
- 618-98-4(Ethyl 3-nitrobenzoate)
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