Cas no 63614-06-2 (Dimethyl 5-bromo-8-nitronaphthalene-1,4-dicarboxylate)
63614-06-2 structure
Product Name:Dimethyl 5-bromo-8-nitronaphthalene-1,4-dicarboxylate
CAS No:63614-06-2
MF:C14H10BrNO6
MW:368.136303424835
CID:2791226
PubChem ID:20285904
Update Time:2025-04-21
Dimethyl 5-bromo-8-nitronaphthalene-1,4-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL11325791
- Dimethyl 5-bromo-8-nitronaphthalene-1,4-dicarboxylate
- 63614-06-2
- DTXSID20604660
-
- Inchi： 1S/C14H10BrNO6/c1-21-13(17)7-3-4-8(14(18)22-2)12-10(16(19)20)6-5-9(15)11(7)12/h3-6H,1-2H3
- InChI Key： YOGWCNLGHXYVDJ-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C2=C(C(=O)OC)C=CC(C(=O)OC)=C21)[N+](=O)[O-]
Computed Properties
- Exact Mass: 366.96915Da
- Monoisotopic Mass: 366.96915Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 465
- 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: 98.4?2
Dimethyl 5-bromo-8-nitronaphthalene-1,4-dicarboxylate Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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