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Home > Bromides > 1332352-81-4
1332352-81-4 | 1-Bromo-3-iso-pentylthiobenzene
CAS No: 1332352-81-4 Catalog No: AG01ES7Z MDL No:
Product Description
Catalog Number:
AG01ES7Z
Chemical Name:
1-Bromo-3-iso-pentylthiobenzene
CAS Number:
1332352-81-4
Molecular Formula:
C11H15BrS
Molecular Weight:
259.2058
IUPAC Name:
1-bromo-3-(3-methylbutylsulfanyl)benzene
InChI:
InChI=1S/C11H15BrS/c1-9(2)6-7-13-11-5-3-4-10(12)8-11/h3-5,8-9H,6-7H2,1-2H3
InChI Key:
WMIQXCDIKPUXLL-UHFFFAOYSA-N
SMILES:
CC(CCSc1cccc(c1)Br)C
Properties
Complexity:
136
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:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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