Cas no 497151-59-4 (Carbamic acid, (4-bromo-7-hydroxy-1-naphthalenyl)-, 1,1-dimethylethylester)
497151-59-4 structure
Product Name:Carbamic acid, (4-bromo-7-hydroxy-1-naphthalenyl)-, 1,1-dimethylethylester
CAS No:497151-59-4
MF:C15H16BrNO3
MW:338.196443557739
CID:1526449
PubChem ID:18433560
Update Time:2025-04-21
Carbamic acid, (4-bromo-7-hydroxy-1-naphthalenyl)-, 1,1-dimethylethylester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, (4-bromo-7-hydroxy-1-naphthalenyl)-, 1,1-dimethylethylester
- VDBGOVNQKBGXSS-UHFFFAOYSA-N
- 4-Bromo-1-(tert-butoxycarbonylamino)naphth-7-ol
- 497151-59-4
- tert-butyl 4-bromo-7-hydroxy-1-naphthylcarbamate
- 4-bromo-1-tert-butoxycarbonylaminonaphth-7-ol
- SCHEMBL486774
- DB-218755
-
- Inchi： 1S/C15H16BrNO3/c1-15(2,3)20-14(19)17-13-7-6-12(16)10-5-4-9(18)8-11(10)13/h4-8,18H,1-3H3,(H,17,19)
- InChI Key： VDBGOVNQKBGXSS-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C2C=C(C=CC2=1)O)NC(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 337.03138
- Monoisotopic Mass: 337.03136g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 356
- 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: 4.1
- Topological Polar Surface Area: 58.6?2
Experimental Properties
- PSA: 58.56
Carbamic acid, (4-bromo-7-hydroxy-1-naphthalenyl)-, 1,1-dimethylethylester Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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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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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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