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1556-63-4 | 9H-Xanthen-9-one, 3,6-dichloro-
CAS No: 1556-63-4 Catalog No: AG001O1I MDL No:
Product Description
Catalog Number:
AG001O1I
Chemical Name:
9H-Xanthen-9-one, 3,6-dichloro-
CAS Number:
1556-63-4
Molecular Formula:
C13H6Cl2O2
Molecular Weight:
265.0915
IUPAC Name:
3,6-dichloroxanthen-9-one
InChI:
InChI=1S/C13H6Cl2O2/c14-7-1-3-9-11(5-7)17-12-6-8(15)2-4-10(12)13(9)16/h1-6H
InChI Key:
QRHXWBURLNLUPA-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)oc1c(c2=O)ccc(c1)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.974g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.089g/mol
Monoisotopic Mass:
263.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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