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101709-82-4 | 9H-Xanthen-9-one, 1-chloro-4-nitro-
CAS No: 101709-82-4 Catalog No: AG00059J MDL No:
Product Description
Catalog Number:
AG00059J
Chemical Name:
9H-Xanthen-9-one, 1-chloro-4-nitro-
CAS Number:
101709-82-4
Molecular Formula:
C13H6ClNO4
Molecular Weight:
275.6440
IUPAC Name:
1-chloro-4-nitroxanthen-9-one
InChI:
InChI=1S/C13H6ClNO4/c14-8-5-6-9(15(17)18)13-11(8)12(16)7-3-1-2-4-10(7)19-13/h1-6H
InChI Key:
RAMCTCXQARVXSC-UHFFFAOYSA-N
SMILES:
Clc1ccc(c2c1c(=O)c1c(o2)cccc1)[N+](=O)[O-]
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.999g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.644g/mol
Monoisotopic Mass:
274.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Design and synthesis of novel amino-substituted xanthenones and benzo[b]xanthenones: evaluation of their antiproliferative activity and their ability to overcome multidrug resistance toward MES-SA/D x 5 cells. | Bioorganic & medicinal chemistry 20060501 |
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