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89165-43-5 | Benzene, 1-chloro-2-(octylthio)-
CAS No: 89165-43-5 Catalog No: AG003WM3 MDL No:
Product Description
Catalog Number:
AG003WM3
Chemical Name:
Benzene, 1-chloro-2-(octylthio)-
CAS Number:
89165-43-5
Molecular Formula:
C14H21ClS
Molecular Weight:
256.8345
IUPAC Name:
1-chloro-2-octylsulfanylbenzene
InChI:
InChI=1S/C14H21ClS/c1-2-3-4-5-6-9-12-16-14-11-8-7-10-13(14)15/h7-8,10-11H,2-6,9,12H2,1H3
InChI Key:
SBPNMBWSSVTFQA-UHFFFAOYSA-N
SMILES:
CCCCCCCCSc1ccccc1Cl
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.832g/mol
Monoisotopic Mass:
256.105g/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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