200,000+ products from a single source!
sales@angenechem.com
680603-25-2 | 9,10-Anthracenedione, 1-chloro-2-(1-oxo-3-phenyl-2-propynyl)-
CAS No: 680603-25-2 Catalog No: AG006G96 MDL No:
Product Description
Catalog Number:
AG006G96
Chemical Name:
9,10-Anthracenedione, 1-chloro-2-(1-oxo-3-phenyl-2-propynyl)-
CAS Number:
680603-25-2
Molecular Formula:
C23H11ClO3
Molecular Weight:
370.7846
IUPAC Name:
1-chloro-2-(3-phenylprop-2-ynoyl)anthracene-9,10-dione
InChI:
InChI=1S/C23H11ClO3/c24-21-17(19(25)13-10-14-6-2-1-3-7-14)11-12-18-20(21)23(27)16-9-5-4-8-15(16)22(18)26/h1-9,11-12H
InChI Key:
QSKSBBBVYJJBRC-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1Cl)C(=O)c1c(C2=O)cccc1)C#Cc1ccccc1
Properties
Complexity:
693
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.04g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.788g/mol
Monoisotopic Mass:
370.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.