Cas no 7402-74-6 (4--benzoesaeure)
4--benzoesaeure structure
Product Name:4--benzoesaeure
CAS No:7402-74-6
MF:C13H9NO6S
MW:307.278662443161
CID:978809
PubChem ID:343809
Update Time:2025-04-19
4--benzoesaeure Chemical and Physical Properties
Names and Identifiers
-
- 4--benzoesaeure
- 4-(3-Nitro-benzolsulfonyl)-benzoesaeure;
- 7402-74-6
- Benzoic acid, 4-[(3-nitrophenyl)sulfonyl]-
- NSC-400316
- DTXSID20995323
- NSC 400316
- NSC400316
- RX4R2PBB62
- 4-(3-nitrophenyl)sulfonylbenzoic acid
- 4-(3-Nitrobenzene-1-sulfonyl)benzoic acid
- Benzoic acid, p-[(m-nitrophenyl)sulfonyl]-
- 4-((3-(Hydroxy(oxido)amino)phenyl)sulfonyl)benzoic acid
-
- Inchi： 1S/C13H9NO6S/c15-13(16)9-4-6-11(7-5-9)21(19,20)12-3-1-2-10(8-12)14(17)18/h1-8H,(H,15,16)
- InChI Key： ODTKWYKXWAPCOC-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C(=O)O)=CC=1)(C1C=CC=C(C=1)[N+](=O)[O-])(=O)=O
Computed Properties
- Exact Mass: 307.01507
- Monoisotopic Mass: 307.015
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 498
- 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: 126?2
Experimental Properties
- Density: 1.519
- Boiling Point: 557.8°C at 760 mmHg
- Flash Point: 291.1°C
- Refractive Index: 1.637
- PSA: 114.58
- LogP: 3.72980
4--benzoesaeure Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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