Cas no 925007-08-5 ( )
structure
Product Name:
CAS No:925007-08-5
MF:C10H7Cl2NO2
MW:244.074080705643
CID:998599
PubChem ID:60160567
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- (5-(2,4-DICHLOROPHENYL)ISOXAZOL-3-YL)METHANOL
- 925007-08-5
- AKOS017558844
-
-
- Inchi: 1S/C10H7Cl2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)13-15-10/h1-4,14H,5H2
- InChI Key: CWSPSUFJBPPNBE-UHFFFAOYSA-N
- SMILES: ClC1C=C(C=CC=1C1=CC(CO)=NO1)Cl
Computed Properties
- Exact Mass: 242.9853839g/mol
- Monoisotopic Mass: 242.9853839g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 218
- 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: 2.4
- Topological Polar Surface Area: 46.3?2
Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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