Cas no 65851-97-0 (methyl 3-bromo-5-chloro-2-(methyloxy)benzoate)
65851-97-0 structure
Product Name:methyl 3-bromo-5-chloro-2-(methyloxy)benzoate
CAS No:65851-97-0
MF:C9H8BrClO3
MW:279.515021324158
CID:2147292
PubChem ID:68923981
Update Time:2025-04-21
methyl 3-bromo-5-chloro-2-(methyloxy)benzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 3-bromo-5-chloro-2-(methyloxy)benzoate
- METHYL 3-BROMO-5-CHLORO-2-METHOXYBENZOATE
- 65851-97-0
- MB07046
- AKOS017553194
- SCHEMBL4129252
- DTXSID401206493
- Benzoic acid, 3-bromo-5-chloro-2-methoxy-, methyl ester
- JGRARXIGAKICFR-UHFFFAOYSA-N
- DB-370818
-
- Inchi： 1S/C9H8BrClO3/c1-13-8-6(9(12)14-2)3-5(11)4-7(8)10/h3-4H,1-2H3
- InChI Key： JGRARXIGAKICFR-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CC(C(=O)OC)=C1OC)Cl
Computed Properties
- Exact Mass: 277.93453Da
- Monoisotopic Mass: 277.93453Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 212
- 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: 35.5?2
methyl 3-bromo-5-chloro-2-(methyloxy)benzoate Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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