Home Halogens 5-Bromo-4-chloro-2-iodo-benzoic acid methyl ester

5-Bromo-4-chloro-2-iodo-benzoic acid methyl ester

CAS No.:
1528948-34-6
Catalog Number:
AG00AO03
Molecular Formula:
C8H5BrClIO2
Molecular Weight:
375.3856
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00AO03
Chemical Name:
5-Bromo-4-chloro-2-iodo-benzoic acid methyl ester
CAS Number:
1528948-34-6
Molecular Formula:
C8H5BrClIO2
Molecular Weight:
375.3856
IUPAC Name:
methyl 5-bromo-4-chloro-2-iodobenzoate
InChI:
InChI=1S/C8H5BrClIO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,1H3
InChI Key:
MJGLOYDQWHRROF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(cc1I)Cl
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.821g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.384g/mol
Monoisotopic Mass:
373.821g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties