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81116-32-7 | 9H-Thioxanthene-1-carboxylic acid, 3-chloro-9-oxo-
CAS No: 81116-32-7 Catalog No: AG005GDV MDL No:
Product Description
Catalog Number:
AG005GDV
Chemical Name:
9H-Thioxanthene-1-carboxylic acid, 3-chloro-9-oxo-
CAS Number:
81116-32-7
Molecular Formula:
C14H7ClO3S
Molecular Weight:
290.7216
IUPAC Name:
3-chloro-9-oxothioxanthene-1-carboxylic acid
InChI:
InChI=1S/C14H7ClO3S/c15-7-5-9(14(17)18)12-11(6-7)19-10-4-2-1-3-8(10)13(12)16/h1-6H,(H,17,18)
InChI Key:
XCCPNORCFMAXTG-UHFFFAOYSA-N
SMILES:
Clc1cc2sc3ccccc3c(=O)c2c(c1)C(=O)O
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.98g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.717g/mol
Monoisotopic Mass:
289.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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