Cas no 3112-84-3 (Benzene, 1-methoxy-4-(phenylsulfonyl)-)
3112-84-3 structure
Product Name:Benzene, 1-methoxy-4-(phenylsulfonyl)-
CAS No:3112-84-3
MF:C13H12O3S
MW:248.297582626343
CID:1445442
PubChem ID:4351770
Update Time:2025-04-20
Benzene, 1-methoxy-4-(phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-methoxy-4-(phenylsulfonyl)-
- 1-(benzenesulfonyl)-4-methoxybenzene
- DTXSID70402259
- 1-methoxy-4-(phenylsulfonyl)benzene
- STK687665
- 4-phenylsulfonyl-1-methoxybenzene
- AKOS005600311
- 3112-84-3
- 1-Benzenesulfonyl-4-methoxy-benzene
- SCHEMBL2900381
- KXUNNMWAIMNUPH-UHFFFAOYSA-N
- HS-7975
-
- Inchi： 1S/C13H12O3S/c1-16-11-7-9-13(10-8-11)17(14,15)12-5-3-2-4-6-12/h2-10H,1H3
- InChI Key： KXUNNMWAIMNUPH-UHFFFAOYSA-N
- SMILES： COC1C=CC(S(C2C=CC=CC=2)(=O)=O)=CC=1
Computed Properties
- Exact Mass: 248.05076
- Monoisotopic Mass: 248.05071541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- 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: 2.5
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 43.37
Benzene, 1-methoxy-4-(phenylsulfonyl)- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
3112-84-3 (Benzene, 1-methoxy-4-(phenylsulfonyl)-) Related Products
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