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13707-86-3 | 2-Propanol, 1-chloro-3-(phenylthio)-
CAS No: 13707-86-3 Catalog No: AG0012T3 MDL No:
Product Description
Catalog Number:
AG0012T3
Chemical Name:
2-Propanol, 1-chloro-3-(phenylthio)-
CAS Number:
13707-86-3
Molecular Formula:
C9H11ClOS
Molecular Weight:
202.7010
IUPAC Name:
1-chloro-3-phenylsulfanylpropan-2-ol
InChI:
InChI=1S/C9H11ClOS/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7H2
InChI Key:
MJMJXSXVAGXQRF-UHFFFAOYSA-N
SMILES:
ClCC(CSc1ccccc1)O
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.696g/mol
Monoisotopic Mass:
202.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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