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13910-15-1 | Benzene, (heptylthio)-
CAS No: 13910-15-1 Catalog No: AG001AA1 MDL No:
Product Description
Catalog Number:
AG001AA1
Chemical Name:
Benzene, (heptylthio)-
CAS Number:
13910-15-1
Molecular Formula:
C13H20S
Molecular Weight:
208.3629
IUPAC Name:
heptylsulfanylbenzene
InChI:
InChI=1S/C13H20S/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3
InChI Key:
WTEISHXQZHCIRL-UHFFFAOYSA-N
SMILES:
CCCCCCCSc1ccccc1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.129g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.363g/mol
Monoisotopic Mass:
208.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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