Cas no 173550-32-8 (Benzoic acid, 3,5-bis(4-nitrophenoxy)-, methyl ester)
173550-32-8 structure
Product Name:Benzoic acid, 3,5-bis(4-nitrophenoxy)-, methyl ester
CAS No:173550-32-8
MF:C20H14N2O8
MW:410.333765506744
CID:1358235
PubChem ID:22715471
Update Time:2025-04-20
Benzoic acid, 3,5-bis(4-nitrophenoxy)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3,5-bis(4-nitrophenoxy)-, methyl ester
- methyl 3,5-bis(4-nitrophenoxy)benzoate
- DTXSID30627729
- SCHEMBL5695804
- RROYEXSVVABRQD-UHFFFAOYSA-N
- 173550-32-8
-
- Inchi： 1S/C20H14N2O8/c1-28-20(23)13-10-18(29-16-6-2-14(3-7-16)21(24)25)12-19(11-13)30-17-8-4-15(5-9-17)22(26)27/h2-12H,1H3
- InChI Key： RROYEXSVVABRQD-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)[N+](=O)[O-])C1C=C(C(=O)OC)C=C(C=1)OC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 410.07502
- Monoisotopic Mass: 410.07501541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 30
- Rotatable Bond Count: 6
- Complexity: 559
- 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: 4.9
- Topological Polar Surface Area: 136?2
Experimental Properties
- PSA: 131.04
Benzoic acid, 3,5-bis(4-nitrophenoxy)-, methyl ester Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
173550-32-8 (Benzoic acid, 3,5-bis(4-nitrophenoxy)-, methyl ester) Related Products
- 959-22-8(4-Nitrophenyl benzoate)
- 78238-13-8(Methyl 3-methoxy-5-nitrobenzoate)
- 7464-46-2(4-Nitrophenyl 4-methoxybenzoate)
- 173550-33-9(Compound W)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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