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Home > Bromides > 1332345-49-9
1332345-49-9 | 1-Bromo-2-n-pentylthiobenzene
CAS No: 1332345-49-9 Catalog No: AG01ES7O MDL No:
Product Description
Catalog Number:
AG01ES7O
Chemical Name:
1-Bromo-2-n-pentylthiobenzene
CAS Number:
1332345-49-9
Molecular Formula:
C11H15BrS
Molecular Weight:
259.2058
IUPAC Name:
1-bromo-2-pentylsulfanylbenzene
InChI:
InChI=1S/C11H15BrS/c1-2-3-6-9-13-11-8-5-4-7-10(11)12/h4-5,7-8H,2-3,6,9H2,1H3
InChI Key:
ZUWPHJVGBMIDFZ-UHFFFAOYSA-N
SMILES:
CCCCCSc1ccccc1Br
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.205g/mol
Monoisotopic Mass:
258.008g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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