Cas no 6723-04-2 ( )
structure
Product Name:
CAS No:6723-04-2
MF:C13H9BrO2
MW:277.113363027573
CID:965587
PubChem ID:266990
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- DTXSID80986358
- (4-bromo-2-hydroxyphenyl)(phenyl)methanone
- 6723-04-2
- NSC106086
- NSC-106086
- SCHEMBL11350145
- (4-Bromo-2-hydroxy-phenyl)-phenyl-methanone
- DS-007773
-
-
- Inchi： 1S/C13H9BrO2/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,15H
- InChI Key： CLQYOOMZXFSHAT-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C=1)O)C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 275.97857
- Monoisotopic Mass: 275.97859g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 248
- 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: 4.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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