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20651-67-6 | Benzene, 1-butyl-4-iodo-
CAS No: 20651-67-6 Catalog No: AG002IJ6 MDL No:MFCD00051927
Product Description
Catalog Number:
AG002IJ6
Chemical Name:
Benzene, 1-butyl-4-iodo-
CAS Number:
20651-67-6
Molecular Formula:
C10H13I
Molecular Weight:
260.1147
MDL Number:
MFCD00051927
IUPAC Name:
1-butyl-4-iodobenzene
InChI:
InChI=1S/C10H13I/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
InChI Key:
XILRUONFYBUYIE-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)I
Properties
Complexity:
93
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.006g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.118g/mol
Monoisotopic Mass:
260.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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