Cas no 7402-73-5 ( )
structure
Product Name:
CAS No:7402-73-5
MF:C13H9ClO4S
MW:296.726161718369
CID:978808
PubChem ID:343808
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-(3-chlorophenyl)sulfonylbenzoic acid
- AC1L7Z5H
- KB-237891
- NSC400315
- NSC-400315
- SureCN693625
- DTXSID90322066
- 7402-73-5
- QUPMPWJTGGDLFR-UHFFFAOYSA-N
- SCHEMBL693625
- 4-(3-Chloro-benzensulfonyl)-benzoic acid
- 4-(3-Chloro-benzenesulfonyl)-benzoic acid
-
-
- Inchi： 1S/C13H9ClO4S/c14-10-2-1-3-12(8-10)19(17,18)11-6-4-9(5-7-11)13(15)16/h1-8H,(H,15,16)
- InChI Key： QUPMPWJTGGDLFR-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)S(C1C=CC(C(=O)O)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 295.99107
- Monoisotopic Mass: 295.991
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 420
- 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: 2.5
- Topological Polar Surface Area: 79.8?2
Experimental Properties
- Density: 1.466
- Boiling Point: 518.7°C at 760 mmHg
- Flash Point: 267.5°C
- Refractive Index: 1.623
- PSA: 71.44
- LogP: 3.95180
Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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