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88519-49-7 | Benzene, 1-iodo-4-(phenylthio)-
CAS No: 88519-49-7 Catalog No: AG008A06 MDL No:
Product Description
Catalog Number:
AG008A06
Chemical Name:
Benzene, 1-iodo-4-(phenylthio)-
CAS Number:
88519-49-7
Molecular Formula:
C12H9IS
Molecular Weight:
312.1693
IUPAC Name:
1-iodo-4-phenylsulfanylbenzene
InChI:
InChI=1S/C12H9IS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChI Key:
SZOYJRZFRWCAEL-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)Sc1ccccc1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.947g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.168g/mol
Monoisotopic Mass:
311.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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