Cas no 86535-59-3 (1-Naphthalenecarbonyl chloride, 3-methoxy-5-methyl-)
86535-59-3 structure
Product Name:1-Naphthalenecarbonyl chloride, 3-methoxy-5-methyl-
CAS No:86535-59-3
MF:C13H11ClO2
MW:234.678242921829
CID:2809384
PubChem ID:11075375
Update Time:2025-04-21
1-Naphthalenecarbonyl chloride, 3-methoxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- DTXSID60454343
- 86535-59-3
- 1-Naphthalenecarbonyl chloride, 3-methoxy-5-methyl-
- DTXCID50405162
- SCHEMBL13635146
-
- Inchi： 1S/C13H11ClO2/c1-8-4-3-5-10-11(8)6-9(16-2)7-12(10)13(14)15/h3-7H,1-2H3
- InChI Key： YSPFUHSXJBOOIB-UHFFFAOYSA-N
- SMILES： ClC(C1=CC(=CC2=C(C)C=CC=C21)OC)=O
Computed Properties
- Exact Mass: 234.0447573g/mol
- Monoisotopic Mass: 234.0447573g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 267
- 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: 4
- Topological Polar Surface Area: 26.3?2
1-Naphthalenecarbonyl chloride, 3-methoxy-5-methyl- 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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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