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89165-44-6 | Benzene, 1-chloro-3-(octylthio)-
CAS No: 89165-44-6 Catalog No: AG003WO1 MDL No:
Product Description
Catalog Number:
AG003WO1
Chemical Name:
Benzene, 1-chloro-3-(octylthio)-
CAS Number:
89165-44-6
Molecular Formula:
C14H21ClS
Molecular Weight:
256.8345
IUPAC Name:
1-chloro-3-octylsulfanylbenzene
InChI:
InChI=1S/C14H21ClS/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:
IKBUTSHALRIXBA-UHFFFAOYSA-N
SMILES:
CCCCCCCCSc1cccc(c1)Cl
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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