Cas no 61809-41-4 (Benzoyl chloride, 2-bromo-5-methoxy-4-methyl-)
61809-41-4 structure
Product Name:Benzoyl chloride, 2-bromo-5-methoxy-4-methyl-
CAS No:61809-41-4
MF:C9H8BrClO2
MW:263.515621185303
CID:1629841
PubChem ID:71391944
Update Time:2025-04-21
Benzoyl chloride, 2-bromo-5-methoxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride, 2-bromo-5-methoxy-4-methyl-
- 2-bromo-5-methoxy-4-methylbenzoyl chloride
- 61809-41-4
- DTXSID90813767
-
- Inchi： 1S/C9H8BrClO2/c1-5-3-7(10)6(9(11)12)4-8(5)13-2/h3-4H,1-2H3
- InChI Key： FMBCZAWVMKUFAY-UHFFFAOYSA-N
- SMILES： BrC1C(C(=O)Cl)=CC(=C(C)C=1)OC
Computed Properties
- Exact Mass: 261.93964
- Monoisotopic Mass: 261.93962g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- 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: 3.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoyl chloride, 2-bromo-5-methoxy-4-methyl- Related Literature
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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