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13457-99-3 | 3-Chlorophenylthioethanol
CAS No: 13457-99-3 Catalog No: AG01FFI0 MDL No:MFCD03789151
Product Description
Catalog Number:
AG01FFI0
Chemical Name:
3-Chlorophenylthioethanol
CAS Number:
13457-99-3
Molecular Formula:
C8H9ClOS
Molecular Weight:
188.6745
MDL Number:
MFCD03789151
IUPAC Name:
2-(3-chlorophenyl)sulfanylethanol
InChI:
InChI=1S/C8H9ClOS/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6,10H,4-5H2
InChI Key:
DIQOFIWQLPICQJ-UHFFFAOYSA-N
SMILES:
OCCSc1cccc(c1)Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.006g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.669g/mol
Monoisotopic Mass:
188.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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