Home Halogens methyl 5-bromo-3-iodo-2-methylbenzoate

methyl 5-bromo-3-iodo-2-methylbenzoate

CAS No.:
1378861-84-7
Catalog Number:
AG01BXF5
Molecular Formula:
C9H8BrIO2
Molecular Weight:
354.9671
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Product Description
Catalog Number:
AG01BXF5
Chemical Name:
methyl 5-bromo-3-iodo-2-methylbenzoate
CAS Number:
1378861-84-7
Molecular Formula:
C9H8BrIO2
Molecular Weight:
354.9671
MDL Number:
MFCD20526670
IUPAC Name:
methyl 5-bromo-3-iodo-2-methylbenzoate
InChI:
InChI=1S/C9H8BrIO2/c1-5-7(9(12)13-2)3-6(10)4-8(5)11/h3-4H,1-2H3
InChI Key:
MNRJEGYAUYBNRW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1C)I
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.875g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.969g/mol
Monoisotopic Mass:
353.875g/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