Cas no 59265-72-4 (Benzoic acid, 2-chloro-4-nitro-, propyl ester)
59265-72-4 structure
Product Name:Benzoic acid, 2-chloro-4-nitro-, propyl ester
CAS No:59265-72-4
MF:C10H10ClNO4
MW:243.643702030182
CID:339316
PubChem ID:15029225
Update Time:2025-04-19
Benzoic acid, 2-chloro-4-nitro-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-chloro-4-nitro-, propyl ester
- propyl 2-chloro-4-nitrobenzoate
- 59265-72-4
- AKOS017265297
- DTXSID90567192
-
- Inchi： 1S/C10H10ClNO4/c1-2-5-16-10(13)8-4-3-7(12(14)15)6-9(8)11/h3-4,6H,2,5H2,1H3
- InChI Key： GPITUJIDQFXRRF-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1C(=O)OCCC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 243.0299
- Monoisotopic Mass: 243.0298355g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 266
- 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: 3.3
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- PSA: 69.44
Benzoic acid, 2-chloro-4-nitro-, propyl ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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