Cas no 111013-16-2 (Naphthalene, 1,8-bis(bromomethyl)-3-methoxy-)
111013-16-2 structure
Product Name:Naphthalene, 1,8-bis(bromomethyl)-3-methoxy-
CAS No:111013-16-2
MF:C13H12Br2O
MW:344.04178237915
CID:1196177
PubChem ID:13813901
Update Time:2025-04-20
Naphthalene, 1,8-bis(bromomethyl)-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene, 1,8-bis(bromomethyl)-3-methoxy-
- 1,8-bis(bromomethyl)-3-methoxynaphthalene
- SCHEMBL10754471
- 111013-16-2
- DTXSID20550330
-
- Inchi： 1S/C13H12Br2O/c1-16-12-5-9-3-2-4-10(7-14)13(9)11(6-12)8-15/h2-6H,7-8H2,1H3
- InChI Key： ZQBKTADDBYUAMQ-UHFFFAOYSA-N
- SMILES： BrCC1C=C(C=C2C=CC=C(CBr)C2=1)OC
Computed Properties
- Exact Mass: 341.92546
- Monoisotopic Mass: 341.92549g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 222
- 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: 4.3
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
Naphthalene, 1,8-bis(bromomethyl)-3-methoxy- Related Literature
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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