Cas no 121285-23-2 (Benzoic acid,2-amino-6-methyl-4-nitro-)
121285-23-2 structure
Product Name:Benzoic acid,2-amino-6-methyl-4-nitro-
CAS No:121285-23-2
MF:C8H8N2O4
MW:196.160121917725
CID:133297
PubChem ID:22152165
Update Time:2025-04-19
Benzoic acid,2-amino-6-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-amino-6-methyl-4-nitro-
- Benzoic acid, 2-amino-6-methyl-4-nitro- (9CI)
- 2-amino-6-methyl-4-nitrobenzoic acid
- 121285-23-2
- SCHEMBL8034454
- DB-274479
- BENZOIC ACID, 2-AMINO-6-METHYL-4-NITRO-
-
- Inchi： 1S/C8H8N2O4/c1-4-2-5(10(13)14)3-6(9)7(4)8(11)12/h2-3H,9H2,1H3,(H,11,12)
- InChI Key： ALEOMMQAWGBXDE-UHFFFAOYSA-N
- SMILES： OC(C1C(=CC(=CC=1C)[N+](=O)[O-])N)=O
Computed Properties
- Exact Mass: 196.04844
- Monoisotopic Mass: 196.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 250
- 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
- Topological Polar Surface Area: 109A^2
- XLogP3: 1.5
Experimental Properties
- PSA: 106.46
Benzoic acid,2-amino-6-methyl-4-nitro- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
121285-23-2 (Benzoic acid,2-amino-6-methyl-4-nitro-) Related Products
- 1975-51-5(2-Methyl-4-nitrobenzoic acid)
- 610-36-6(4-Amino-2-nitrobenzoic acid)
- 3807-81-6(5-Nitro-1,2,3-benzenetricarboxylic acid)
- 13506-76-8(2-methyl-6-nitro-benzoic acid)
- 603-11-2(3-Nitrophthalic acid)
- 610-27-5(4-Nitrophthalic acid)
- 610-29-7(2-nitrobenzene-1,4-dicarboxylic acid)
- 1975-50-4(2-Methyl-3-nitrobenzoic acid)
- 1975-52-6(2-methyl-5-nitro-benzoic acid)
- 619-17-0(2-Amino-4-nitrobenzoic acid)
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