Home Halogens 4-Bromo-2-chloro-6-methyl-benzoic acid methyl ester

4-Bromo-2-chloro-6-methyl-benzoic acid methyl ester

CAS No.:
877149-10-5
Catalog Number:
AG004JCM
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$316
- +
5g
95%
1 week
United States
$631
- +
25g
95%
1 week
United States
$1816
- +
Product Description
Catalog Number:
AG004JCM
Chemical Name:
4-Bromo-2-chloro-6-methyl-benzoic acid methyl ester
CAS Number:
877149-10-5
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
MDL Number:
MFCD09260942
IUPAC Name:
methyl 4-bromo-2-chloro-6-methylbenzoate
InChI:
InChI=1S/C9H8BrClO2/c1-5-3-6(10)4-7(11)8(5)9(12)13-2/h3-4H,1-2H3
InChI Key:
KOVCJLYSMXZNDF-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)cc(cc1Cl)Br
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.94g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.515g/mol
Monoisotopic Mass:
261.94g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties