Home Other Building Blocks 4-Iodobutyl acetate

4-Iodobutyl acetate

CAS No.:
40596-44-9
Catalog Number:
AG003LKT
Molecular Formula:
C6H11IO2
Molecular Weight:
242.0548
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Product Description
Catalog Number:
AG003LKT
Chemical Name:
4-Iodobutyl acetate
CAS Number:
40596-44-9
Molecular Formula:
C6H11IO2
Molecular Weight:
242.0548
MDL Number:
MFCD00010664
IUPAC Name:
4-iodobutyl acetate
InChI:
InChI=1S/C6H11IO2/c1-6(8)9-5-3-2-4-7/h2-5H2,1H3
InChI Key:
FLPVVTDEKLGZDZ-UHFFFAOYSA-N
SMILES:
ICCCCOC(=O)C
Properties
Complexity:
83.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.98g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.056g/mol
Monoisotopic Mass:
241.98g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties