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130248-71-4 | Benzene, (5-iodo-4-pentyn-1-yl)-
CAS No: 130248-71-4 Catalog No: AG000U6G MDL No:
Product Description
Catalog Number:
AG000U6G
Chemical Name:
Benzene, (5-iodo-4-pentyn-1-yl)-
CAS Number:
130248-71-4
Molecular Formula:
C11H11I
Molecular Weight:
270.1095
IUPAC Name:
5-iodopent-4-ynylbenzene
InChI:
InChI=1S/C11H11I/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5,9H2
InChI Key:
FBBISCTWGCSUFC-UHFFFAOYSA-N
SMILES:
IC#CCCCc1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.991g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.113g/mol
Monoisotopic Mass:
269.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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