Cas no 796112-05-5 (1-Naphthalenecarboxamide, 3-bromo-N-methoxy-N-methyl-)
796112-05-5 structure
Product Name:1-Naphthalenecarboxamide, 3-bromo-N-methoxy-N-methyl-
CAS No:796112-05-5
MF:C13H12BrNO2
MW:294.143882751465
CID:1797611
PubChem ID:58678669
Update Time:2025-04-21
1-Naphthalenecarboxamide, 3-bromo-N-methoxy-N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenecarboxamide, 3-bromo-N-methoxy-N-methyl-
- NBXQTZGTZBVUMM-UHFFFAOYSA-N
- SCHEMBL4152489
- 3-bromo-N-methyl-N-(methyloxy)-1-naphthalenecarboxamide
- 3-bromo-N-methyl-N-(methyloxy)-1-napthalenecarboxamide
- DB-122644
- 3-bromo-N-methoxy-N-methyl-1-naphthamide
- 796112-05-5
-
- Inchi： 1S/C13H12BrNO2/c1-15(17-2)13(16)12-8-10(14)7-9-5-3-4-6-11(9)12/h3-8H,1-2H3
- InChI Key： NBXQTZGTZBVUMM-UHFFFAOYSA-N
- SMILES： BrC1C=C2C=CC=CC2=C(C(N(C)OC)=O)C=1
Computed Properties
- Exact Mass: 293.00514g/mol
- Monoisotopic Mass: 293.00514g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 285
- 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: 3.4
- Topological Polar Surface Area: 29.5?2
1-Naphthalenecarboxamide, 3-bromo-N-methoxy-N-methyl- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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