Cas no 80100-13-6 (Methanone, (2-bromo-3-pyridinyl)phenyl-)
80100-13-6 structure
Product Name:Methanone, (2-bromo-3-pyridinyl)phenyl-
CAS No:80100-13-6
MF:C12H8BrNO
MW:262.102022171021
CID:4192993
PubChem ID:12846968
Update Time:2025-04-24
Methanone, (2-bromo-3-pyridinyl)phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (2-bromo-3-pyridinyl)phenyl-
- (2-Bromopyridin-3-yl)(phenyl)methanone
- SCHEMBL4707275
- A1-75750
- 80100-13-6
-
- Inchi： 1S/C12H8BrNO/c13-12-10(7-4-8-14-12)11(15)9-5-2-1-3-6-9/h1-8H
- InChI Key： XBCMUYGLRKSMHR-UHFFFAOYSA-N
- SMILES： BrC1C(=CC=CN=1)C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 260.97893Da
- Monoisotopic Mass: 260.97893Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 226
- 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: 3.2
- Topological Polar Surface Area: 30?2
Methanone, (2-bromo-3-pyridinyl)phenyl- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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