Cas no 53992-33-9 (Benzenemethanesulfonicacid, 4-nitro-)
53992-33-9 structure
Product Name:Benzenemethanesulfonicacid, 4-nitro-
CAS No:53992-33-9
MF:C7H7NO5S
MW:217.199180841446
CID:383991
PubChem ID:316247
Update Time:2025-04-19
Benzenemethanesulfonicacid, 4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanesulfonicacid, 4-nitro-
- (4-nitrophenyl)methanesulfonic acid
- (4-nitrophenyl)-methanesulfonic acid
- (4-nitro-phenyl)-methanesulfonic acid
- (4-Nitro-phenyl)-methansulfonsaeure
- 4-nitrobenzylsulfonic acid
- 4-Nitro-benzylsulfonsaeure
- 4-nitrophenylmethanesulfonic acid
- AC1L7TFJ
- CTK1H4538
- NSC243770
- p-Nitrophenylmethansulfonsaeure
- NSC-243770
- p-Nitrobenzylsulfosaure
- SCHEMBL294285
- 53992-33-9
- VWLGQKLHWIVCCZ-UHFFFAOYSA-N
- 4-Nitrobenzyl Sulfonic Acid
- DTXSID00311527
-
- Inchi： 1S/C7H7NO5S/c9-8(10)7-3-1-6(2-4-7)5-14(11,12)13/h1-4H,5H2,(H,11,12,13)
- InChI Key： VWLGQKLHWIVCCZ-UHFFFAOYSA-N
- SMILES： S(CC1C=CC(=CC=1)[N+](=O)[O-])(=O)(=O)O
Computed Properties
- Exact Mass: 217.00451
- Monoisotopic Mass: 217.00449350g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 293
- 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: 0.8
- Topological Polar Surface Area: 109?2
Experimental Properties
- PSA: 97.51
- LogP: 2.58660
Benzenemethanesulfonicacid, 4-nitro- Related Literature
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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