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131894-91-2 | Benzene, 1-heptyl-4-iodo-
CAS No: 131894-91-2 Catalog No: AG000ZV8 MDL No:
Product Description
Catalog Number:
AG000ZV8
Chemical Name:
Benzene, 1-heptyl-4-iodo-
CAS Number:
131894-91-2
Molecular Formula:
C13H19I
Molecular Weight:
302.1944
IUPAC Name:
1-heptyl-4-iodobenzene
InChI:
InChI=1S/C13H19I/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7H2,1H3
InChI Key:
NHXKOPSTJPLWPK-UHFFFAOYSA-N
SMILES:
CCCCCCCc1ccc(cc1)I
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.199g/mol
Monoisotopic Mass:
302.053g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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