Cas no 54029-72-0 (Benzenamine, 2-nitro-5-(phenylsulfinyl)-)
54029-72-0 structure
Product Name:Benzenamine, 2-nitro-5-(phenylsulfinyl)-
CAS No:54029-72-0
MF:C12H10N2O3S
MW:262.284401416779
CID:355744
PubChem ID:13035572
Update Time:2025-04-19
Benzenamine, 2-nitro-5-(phenylsulfinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2-nitro-5-(phenylsulfinyl)-
- 5-(benzenesulfinyl)-2-nitroaniline
- AWPYQKOHIPZPFB-UHFFFAOYSA-N
- 2-amino-4-phenylsulfinyl-1-nitrobenzene
- DTXSID20515969
- 54029-72-0
- 2-amino-1-nitro-4-phenylsulfinylbenzene
- 2-amino-4-phenylsulfinyl-1-nitrobenzen
- 1-amino-5-phenylsulfinyl-2-nitrobenzene
- SCHEMBL9808961
-
- Inchi： 1S/C12H10N2O3S/c13-11-8-10(6-7-12(11)14(15)16)18(17)9-4-2-1-3-5-9/h1-8H,13H2
- InChI Key： AWPYQKOHIPZPFB-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(C1C=CC(=C(C=1)N)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 262.0413
- Monoisotopic Mass: 262.04121336g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 326
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 108?2
Experimental Properties
- PSA: 86.23
Benzenamine, 2-nitro-5-(phenylsulfinyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Soumaya Khlifi,Gregory Mouille,Jonathan Farjon Anal. Methods, 2017,9, 2328-2333
54029-72-0 (Benzenamine, 2-nitro-5-(phenylsulfinyl)-) Related Products
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