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69849-09-8 | 1,3-Dithiane, 2-(2-chlorophenyl)-
CAS No: 69849-09-8 Catalog No: AG005HBH MDL No:
Product Description
Catalog Number:
AG005HBH
Chemical Name:
1,3-Dithiane, 2-(2-chlorophenyl)-
CAS Number:
69849-09-8
Molecular Formula:
C10H11ClS2
Molecular Weight:
230.7773
IUPAC Name:
2-(2-chlorophenyl)-1,3-dithiane
InChI:
InChI=1S/C10H11ClS2/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-2,4-5,10H,3,6-7H2
InChI Key:
GRGIOPQZMWKWBW-UHFFFAOYSA-N
SMILES:
Clc1ccccc1C1SCCCS1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.768g/mol
Monoisotopic Mass:
229.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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