Cas no 101084-64-4 (Benzoic acid, 2-methyl-4,5-dinitro-)
101084-64-4 structure
Product Name:Benzoic acid, 2-methyl-4,5-dinitro-
CAS No:101084-64-4
MF:C8H6N2O6
MW:226.143042087555
CID:3552943
PubChem ID:59761726
Update Time:2025-04-22
Benzoic acid, 2-methyl-4,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-methyl-4,5-dinitro-
- 101084-64-4
- 2-methyl-4,5-dinitrobenzoic acid
- MFCD28369237
- LXCHAMABVJFENQ-UHFFFAOYSA-N
- SY351419
- G86477
- SCHEMBL772656
-
- Inchi： 1S/C8H6N2O6/c1-4-2-6(9(13)14)7(10(15)16)3-5(4)8(11)12/h2-3H,1H3,(H,11,12)
- InChI Key： LXCHAMABVJFENQ-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC([N+]([O-])=O)=C([N+]([O-])=O)C=C1C
Computed Properties
- Exact Mass: 226.02258592Da
- Monoisotopic Mass: 226.02258592Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 319
- 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: 1.5
- Topological Polar Surface Area: 129?2
Benzoic acid, 2-methyl-4,5-dinitro- Related Literature
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
101084-64-4 (Benzoic acid, 2-methyl-4,5-dinitro-) Related Products
- 89-41-8(4-Methoxy-3-nitrobenzoic acid)
- 89-58-7(2,5-Dimethylnitrobenzene)
- 81-14-1(Musk ketone)
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- 69-78-3(DTNB)
- 82-35-9(1,5-Dinitroanthraquinone)
- 85-38-1(2-hydroxy-3-nitro-benzoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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