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

methyl 3-chloro-5-iodo-2-methylbenzoate

CAS No.:
1692477-05-6
Catalog Number:
AG01DYTJ
Molecular Formula:
C9H8ClIO2
Molecular Weight:
310.5161
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Product Description
Catalog Number:
AG01DYTJ
Chemical Name:
methyl 3-chloro-5-iodo-2-methylbenzoate
CAS Number:
1692477-05-6
Molecular Formula:
C9H8ClIO2
Molecular Weight:
310.5161
MDL Number:
MFCD25960981
IUPAC Name:
methyl 3-chloro-5-iodo-2-methylbenzoate
InChI:
InChI=1S/C9H8ClIO2/c1-5-7(9(12)13-2)3-6(11)4-8(5)10/h3-4H,1-2H3
InChI Key:
ULHZPUHUHBYNFA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(I)cc(c1C)Cl
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.926g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.515g/mol
Monoisotopic Mass:
309.926g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties