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1332355-01-7 | 1-Bromo-3-n-heptylthiobenzene
CAS No: 1332355-01-7 Catalog No: AG01ES80 MDL No:
Product Description
Catalog Number:
AG01ES80
Chemical Name:
1-Bromo-3-n-heptylthiobenzene
CAS Number:
1332355-01-7
Molecular Formula:
C13H19BrS
Molecular Weight:
287.2590
IUPAC Name:
1-bromo-3-heptylsulfanylbenzene
InChI:
InChI=1S/C13H19BrS/c1-2-3-4-5-6-10-15-13-9-7-8-12(14)11-13/h7-9,11H,2-6,10H2,1H3
InChI Key:
RPMIRAQECABOJQ-UHFFFAOYSA-N
SMILES:
CCCCCCCSc1cccc(c1)Br
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.259g/mol
Monoisotopic Mass:
286.039g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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