Cas no 10154-67-3 (Benzenesulfonic acid,4-nitro-, 1,4-butanediyl ester (9CI))
10154-67-3 structure
Product Name:Benzenesulfonic acid,4-nitro-, 1,4-butanediyl ester (9CI)
CAS No:10154-67-3
MF:C16H16N2O10S2
MW:460.435642242432
CID:214921
PubChem ID:96901
Update Time:2025-04-19
Benzenesulfonic acid,4-nitro-, 1,4-butanediyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,4-nitro-, 1,4-butanediyl ester (9CI)
- 4-(4-nitrophenyl)sulfonyloxybutyl 4-nitrobenzenesulfonate
- 1,4-bis-(4-nitro-benzenesulfonyloxy)-butane
- 1,4-Bis-(4-nitro-benzolsulfonyloxy)-butan
- AC1L3XGO
- AC1Q1ZH5
- AR-1I0992
- butane-1,4-diyl bis(4-nitrobenzenesulfonate)
- NSC92605
- Tetramethylenebis(p-nitrobenzenesulfonate)
- NSC-92605
- 10154-67-3
- DTXSID80143989
- Benzenesulfonic acid, 4-nitro-, 1,4-butanediyl ester
- NSC 92605
- Benzenesulfonic acid, 4-nitro-, 1,4-butanediyl ester (9CI)
-
- Inchi： 1S/C16H16N2O10S2/c19-17(20)13-3-7-15(8-4-13)29(23,24)27-11-1-2-12-28-30(25,26)16-9-5-14(6-10-16)18(21)22/h3-10H,1-2,11-12H2
- InChI Key： IHDDYQPZDSDOCZ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)[N+](=O)[O-])(=O)(=O)OCCCCOS(C1C=CC(=CC=1)[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 460.02468
- Monoisotopic Mass: 460.02463706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 30
- Rotatable Bond Count: 9
- Complexity: 708
- 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: 2.6
- Topological Polar Surface Area: 195?2
Experimental Properties
- PSA: 173.02
- LogP: 5.60200
Benzenesulfonic acid,4-nitro-, 1,4-butanediyl ester (9CI) Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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