Cas no 127528-19-2 (Carbamic acid, (2-naphthalenylsulfonyl)-, methyl ester)
127528-19-2 structure
Product Name:Carbamic acid, (2-naphthalenylsulfonyl)-, methyl ester
CAS No:127528-19-2
MF:C12H11NO4S
MW:265.285042047501
CID:1221480
PubChem ID:17762566
Update Time:2025-04-20
Carbamic acid, (2-naphthalenylsulfonyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, (2-naphthalenylsulfonyl)-, methyl ester
- SCHEMBL26282598
- DS-018084
- 127528-19-2
-
- Inchi： 1S/C12H11NO4S/c1-17-12(14)13-18(15,16)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3,(H,13,14)
- InChI Key： WQQBRGMTTVBVIG-UHFFFAOYSA-N
- SMILES： S(C1C=CC2C=CC=CC=2C=1)(NC(=O)OC)(=O)=O
Computed Properties
- Exact Mass: 265.04093
- Monoisotopic Mass: 265.04087901g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 401
- 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: 1
- Topological Polar Surface Area: 80.8?2
Experimental Properties
- PSA: 72.47
Carbamic acid, (2-naphthalenylsulfonyl)-, methyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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