Cas no 6842-61-1 (BENZENE, 1-BROMO-3-(4-CHLOROPHENOXY)-)
6842-61-1 structure
Product Name:BENZENE, 1-BROMO-3-(4-CHLOROPHENOXY)-
CAS No:6842-61-1
MF:C12H8BrClO
MW:283.548321723938
CID:3373215
PubChem ID:10613003
Update Time:2025-04-21
BENZENE, 1-BROMO-3-(4-CHLOROPHENOXY)- Chemical and Physical Properties
Names and Identifiers
-
- BENZENE, 1-BROMO-3-(4-CHLOROPHENOXY)-
- 3-(4-chlorophenoxy)phenyl bromide
- 6842-61-1
- SCHEMBL8388081
- 1-bromo-3-(4-chlorophenoxy)benzene
- DS-021538
-
- Inchi： 1S/C12H8BrClO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H
- InChI Key： SCRYDQQUKDZQRS-UHFFFAOYSA-N
- SMILES： C1(Br)=CC=CC(OC2=CC=C(Cl)C=C2)=C1
Computed Properties
- Exact Mass: 281.94471Da
- Monoisotopic Mass: 281.94471Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 192
- 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: 4.8
- Topological Polar Surface Area: 9.2?2
BENZENE, 1-BROMO-3-(4-CHLOROPHENOXY)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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