Cas no 185153-52-0 (Benzeneacetic acid, 4-bromo-2-chloro-6-methyl-)
185153-52-0 structure
Product Name:Benzeneacetic acid, 4-bromo-2-chloro-6-methyl-
CAS No:185153-52-0
MF:C9H8BrClO2
MW:263.515621185303
CID:3827211
PubChem ID:85707331
Update Time:2025-04-22
Benzeneacetic acid, 4-bromo-2-chloro-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, 4-bromo-2-chloro-6-methyl-
- 185153-52-0
- 4-Bromo-2-chloro-6-methylbenzeneacetic acid
- SCHEMBL20561730
- DB-167208
-
- Inchi： 1S/C9H8BrClO2/c1-5-2-6(10)3-8(11)7(5)4-9(12)13/h2-3H,4H2,1H3,(H,12,13)
- InChI Key： VDDHRJOGURIRHN-UHFFFAOYSA-N
- SMILES： C1(CC(O)=O)=C(C)C=C(Br)C=C1Cl
Computed Properties
- Exact Mass: 261.93962Da
- Monoisotopic Mass: 261.93962Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 198
- 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: 3.1
- Topological Polar Surface Area: 37.3?2
Benzeneacetic acid, 4-bromo-2-chloro-6-methyl- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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