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20651-68-7 | 3-Iodo-n-butylbenzene
CAS No: 20651-68-7 Catalog No: AG01FFKS MDL No:MFCD11845946
Product Description
Catalog Number:
AG01FFKS
Chemical Name:
3-Iodo-n-butylbenzene
CAS Number:
20651-68-7
Molecular Formula:
C10H13I
Molecular Weight:
260.1147
MDL Number:
MFCD11845946
IUPAC Name:
1-butyl-3-iodobenzene
InChI:
InChI=1S/C10H13I/c1-2-3-5-9-6-4-7-10(11)8-9/h4,6-8H,2-3,5H2,1H3
InChI Key:
OEZDHAXOVPQBTO-UHFFFAOYSA-N
SMILES:
CCCCc1cccc(c1)I
Properties
Complexity:
101
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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