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201862-93-3 | 9H-Thioxanthen-9-one, 1-chloro-4-hydroxy-3-methyl-
CAS No: 201862-93-3 Catalog No: AG0027WA MDL No:
Product Description
Catalog Number:
AG0027WA
Chemical Name:
9H-Thioxanthen-9-one, 1-chloro-4-hydroxy-3-methyl-
CAS Number:
201862-93-3
Molecular Formula:
C14H9ClO2S
Molecular Weight:
276.7381
IUPAC Name:
1-chloro-4-hydroxy-3-methylthioxanthen-9-one
InChI:
InChI=1S/C14H9ClO2S/c1-7-6-9(15)11-13(17)8-4-2-3-5-10(8)18-14(11)12(7)16/h2-6,16H,1H3
InChI Key:
IZGDRAVAIXJTPX-UHFFFAOYSA-N
SMILES:
Cc1cc(Cl)c2c(c1O)sc1c(c2=O)cccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.001g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.734g/mol
Monoisotopic Mass:
276.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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