Cas no 161030-11-1 (Benzoic acid,4-amino-3-methyl-2-nitro-, methyl ester)
161030-11-1 structure
Product Name:Benzoic acid,4-amino-3-methyl-2-nitro-, methyl ester
CAS No:161030-11-1
MF:C9H10N2O4
MW:210.186702251434
CID:109656
PubChem ID:14932983
Update Time:2025-04-18
Benzoic acid,4-amino-3-methyl-2-nitro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-amino-3-methyl-2-nitro-, methyl ester
- Benzoic acid, 4-amino-3-methyl-2-nitro-, methyl ester (9CI)
- Methyl 4-amino-3-methyl-2-nitrobenzoate
- 161030-11-1
-
- Inchi： 1S/C9H10N2O4/c1-5-7(10)4-3-6(9(12)15-2)8(5)11(13)14/h3-4H,10H2,1-2H3
- InChI Key： ILYQTOOVQVFUCB-UHFFFAOYSA-N
- SMILES： O(C)C(C1=CC=C(C(C)=C1[N+](=O)[O-])N)=O
Computed Properties
- Exact Mass: 210.0641
- Monoisotopic Mass: 210.06405680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 263
- 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: 1.3
- Topological Polar Surface Area: 98.1?2
Experimental Properties
- PSA: 95.46
Benzoic acid,4-amino-3-methyl-2-nitro-, methyl ester Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
161030-11-1 (Benzoic acid,4-amino-3-methyl-2-nitro-, methyl ester) Related Products
- 610-36-6(4-Amino-2-nitrobenzoic acid)
- 5292-45-5(Dimethyl nitroterephthalate)
- 21606-04-2(Methyl 3-Nitrophthalate)
- 5471-82-9(Methyl 3-methyl-2-nitrobenzoate)
- 13365-26-9(Dimethyl 3-nitrophthalate)
- 7356-11-8(Methyl 4-methyl-3-nitrobenzoate)
- 24078-21-5(Methyl 3-methyl-4-nitrobenzoate)
- 50573-74-5(2-Amino-6-nitrobenzoic acid)
- 3816-62-4(Methyl 2-amino-5-nitrobenzoate)
- 606-27-9(Methyl 2-nitrobenzoate)
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