Cas no 56045-65-9 (Isoxazole, 3-bromo-5-(4-chlorophenyl)-)
56045-65-9 structure
Product Name:Isoxazole, 3-bromo-5-(4-chlorophenyl)-
CAS No:56045-65-9
MF:C9H5BrClNO
MW:258.499100446701
CID:1596787
PubChem ID:12371353
Update Time:2025-04-21
Isoxazole, 3-bromo-5-(4-chlorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 3-bromo-5-(4-chlorophenyl)-
- SY338634
- 3-Bromo-5-(4-chlorophenyl)isoxazole
- CHEMBL3277004
- MFCD25964607
- 56045-65-9
-
- Inchi： 1S/C9H5BrClNO/c10-9-5-8(13-12-9)6-1-3-7(11)4-2-6/h1-5H
- InChI Key： ZNGYMUNPCACRAX-UHFFFAOYSA-N
- SMILES： BrC1C=C(C2C=CC(=CC=2)Cl)ON=1
Computed Properties
- Exact Mass: 256.92435
- Monoisotopic Mass: 256.92430g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 173
- 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: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole, 3-bromo-5-(4-chlorophenyl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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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
56045-65-9 (Isoxazole, 3-bromo-5-(4-chlorophenyl)-) Related Products
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