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Home Halogens Methyl 4-bromo-3-methylbenzoate

Methyl 4-bromo-3-methylbenzoate

CAS No.:
148547-19-7
Catalog Number:
AG001L0O
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
99%(GC)
In Stock USA
United States
$50
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$150
- +
500g
99%(GC)
In Stock USA
United States
$723
- +
Product Description
Catalog Number:
AG001L0O
Chemical Name:
Methyl 4-bromo-3-methylbenzoate
CAS Number:
148547-19-7
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD00673014
IUPAC Name:
methyl 4-bromo-3-methylbenzoate
InChI:
InChI=1S/C9H9BrO2/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5H,1-2H3
InChI Key:
GTZTYNPAPQKIIR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C)Br
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Total synthesis of (-)-martinellic acid via radical addition-cyclization-elimination reaction. The Journal of organic chemistry 20080620
Properties