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136808-51-0 | 1-Propanol, 2-chloro-3-(phenylthio)-, 1-acetate
CAS No: 136808-51-0 Catalog No: AG0012E4 MDL No:
Product Description
Catalog Number:
AG0012E4
Chemical Name:
1-Propanol, 2-chloro-3-(phenylthio)-, 1-acetate
CAS Number:
136808-51-0
Molecular Formula:
C11H13ClO2S
Molecular Weight:
244.7377
IUPAC Name:
acetic acid;2-chloro-3-phenylsulfanylpropan-1-ol
InChI:
InChI=1S/C9H11ClOS.C2H4O2/c10-8(6-11)7-12-9-4-2-1-3-5-9;1-2(3)4/h1-5,8,11H,6-7H2;1H3,(H,3,4)
InChI Key:
QFCOUXYVZBVJTN-UHFFFAOYSA-N
SMILES:
ClC(CSc1ccccc1)COC(=O)C
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.043g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.748g/mol
Monoisotopic Mass:
262.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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