Cas no 72337-31-6 (Ethanone, 2-bromo-1-(6,7-dimethoxy-2-naphthalenyl)-)
72337-31-6 structure
Product Name:Ethanone, 2-bromo-1-(6,7-dimethoxy-2-naphthalenyl)-
CAS No:72337-31-6
MF:C14H13BrO3
MW:309.155223608017
CID:544120
PubChem ID:12849263
Update Time:2025-04-19
Ethanone, 2-bromo-1-(6,7-dimethoxy-2-naphthalenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 2-bromo-1-(6,7-dimethoxy-2-naphthalenyl)-
- 2-bromo-1-(6,7-dimethoxynaphthalen-2-yl)ethanone
- SCHEMBL6543390
- 6,7-dimethoxy-2-(2-bromoacetyl)naphthalene
- DTXSID40511428
- 2-Bromo-1-(6,7-dimethoxynaphthalen-2-yl)ethan-1-one
- LTALBWXOVLYIMT-UHFFFAOYSA-N
- 72337-31-6
-
- Inchi： 1S/C14H13BrO3/c1-17-13-6-9-3-4-10(12(16)8-15)5-11(9)7-14(13)18-2/h3-7H,8H2,1-2H3
- InChI Key： LTALBWXOVLYIMT-UHFFFAOYSA-N
- SMILES： BrCC(C1=CC=C2C=C(C(=CC2=C1)OC)OC)=O
Computed Properties
- Exact Mass: 308.00479
- Monoisotopic Mass: 308.00481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 295
- 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: 3.6
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Ethanone, 2-bromo-1-(6,7-dimethoxy-2-naphthalenyl)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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