Cas no 78049-20-4 (Methanone, (3-bromo-1-azulenyl)phenyl-)
78049-20-4 structure
Product Name:Methanone, (3-bromo-1-azulenyl)phenyl-
CAS No:78049-20-4
MF:C17H11BrO
MW:311.172643899918
CID:530514
PubChem ID:71401683
Update Time:2025-04-19
Methanone, (3-bromo-1-azulenyl)phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, (3-bromo-1-azulenyl)phenyl-
- (3-bromoazulen-1-yl)-phenylmethanone
- 78049-20-4
- (3-Bromoazulen-1-yl)(phenyl)methanone
- DTXSID80822707
-
- Inchi： 1S/C17H11BrO/c18-16-11-15(13-9-5-2-6-10-14(13)16)17(19)12-7-3-1-4-8-12/h1-11H
- InChI Key： KZSHXUSWQYZHLL-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(C2C=CC=CC=2)=O)C2=CC=CC=CC2=1
Computed Properties
- Exact Mass: 309.99933g/mol
- Monoisotopic Mass: 309.99933g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 321
- 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: 4.9
- Topological Polar Surface Area: 17.1?2
Methanone, (3-bromo-1-azulenyl)phenyl- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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