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89165-41-3 | Benzene, 1-bromo-3-(octylthio)-
CAS No: 89165-41-3 Catalog No: AG003WM4 MDL No:
Product Description
Catalog Number:
AG003WM4
Chemical Name:
Benzene, 1-bromo-3-(octylthio)-
CAS Number:
89165-41-3
Molecular Formula:
C14H21BrS
Molecular Weight:
301.2855
IUPAC Name:
1-bromo-3-octylsulfanylbenzene
InChI:
InChI=1S/C14H21BrS/c1-2-3-4-5-6-7-11-16-14-10-8-9-13(15)12-14/h8-10,12H,2-7,11H2,1H3
InChI Key:
DRQZBXOAFYUCEU-UHFFFAOYSA-N
SMILES:
CCCCCCCCSc1cccc(c1)Br
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.286g/mol
Monoisotopic Mass:
300.055g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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