Cas no 746630-14-8 (Benzenesulfonamide, 4-amino-2-nitro-)
746630-14-8 structure
Product Name:Benzenesulfonamide, 4-amino-2-nitro-
CAS No:746630-14-8
MF:C6H7N3O4S
MW:217.202479600906
CID:1768880
PubChem ID:21483531
Update Time:2025-04-21
Benzenesulfonamide, 4-amino-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide, 4-amino-2-nitro-
- 4-Amino-2-nitrobenzenesulfonamide
- 746630-14-8
- SCHEMBL5625474
- AKOS011424943
- GS0948
-
- Inchi： 1S/C6H7N3O4S/c7-4-1-2-6(14(8,12)13)5(3-4)9(10)11/h1-3H,7H2,(H2,8,12,13)
- InChI Key： QMFXDUPIQLCFMY-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1[N+](=O)[O-])N)(N)(=O)=O
Computed Properties
- Exact Mass: 217.016
- Monoisotopic Mass: 217.016
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 317
- 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: _0.3
- Topological Polar Surface Area: 140A^2
Benzenesulfonamide, 4-amino-2-nitro- Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
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