Methyl 3-Bromo-5-chloro-4-methylbenzoate - CAS 203573-07-3
Catalog: |
BB015830 |
Product Name: |
Methyl 3-Bromo-5-chloro-4-methylbenzoate |
CAS: |
203573-07-3 |
Synonyms: |
3-bromo-5-chloro-4-methylbenzoic acid methyl ester; methyl 3-bromo-5-chloro-4-methylbenzoate |
IUPAC Name: | methyl 3-bromo-5-chloro-4-methylbenzoate |
Description: | Methyl 3-Bromo-5-chloro-4-methylbenzoate (CAS# 203573-07-3) is a useful research chemical. |
Molecular Weight: | 263.52 |
Molecular Formula: | C9H8BrClO2 |
Canonical SMILES: | CC1=C(C=C(C=C1Br)C(=O)OC)Cl |
InChI: | InChI=1S/C9H8BrClO2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3 |
InChI Key: | RJBFECHQHQLAFJ-UHFFFAOYSA-N |
LogP: | 3.19750 |
Publication Number | Title | Priority Date |
CA-2212958-A1 | Method for preparing aromatic compounds | 19960822 |
EP-0825173-A1 | Method for preparing aromatic compounds | 19960822 |
IL-121504-A | Method for dehalogenation of aromatic compounds | 19960822 |
JP-4028624-B2 | Method for producing aromatic compound | 19960822 |
JP-H10251204-A | Method for producing aromatic compound | 19960822 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.93962 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.93962 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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