Cas no 77252-28-9 (9-Phenanthrenecarboxylic acid, 3-bromo-)
77252-28-9 structure
Product Name:9-Phenanthrenecarboxylic acid, 3-bromo-
CAS No:77252-28-9
MF:C15H9BrO2
MW:301.134763479233
CID:536422
PubChem ID:12615819
Update Time:2025-04-19
9-Phenanthrenecarboxylic acid, 3-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 9-Phenanthrenecarboxylic acid, 3-bromo-
- 3-bromophenanthrene-9-carboxylic acid
- 3-bromo-phenanthrene-9-carboxylic acid
- 77252-28-9
- DTXSID20504434
- SCHEMBL9476154
- HRWIHJOHNJHZNP-UHFFFAOYSA-N
- 3-bromo-9-phenanthrenecarboxylic
-
- Inchi： 1S/C15H9BrO2/c16-10-6-5-9-7-14(15(17)18)12-4-2-1-3-11(12)13(9)8-10/h1-8H,(H,17,18)
- InChI Key： HRWIHJOHNJHZNP-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=CC(C(=O)O)=C3C=CC=CC3=C2C=1
Computed Properties
- Exact Mass: 299.97857
- Monoisotopic Mass: 299.97859g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 331
- 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: 4.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
9-Phenanthrenecarboxylic acid, 3-bromo- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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