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115948-26-0 | 2H-1-Benzopyran-2-one, 3,3'-carbonylbis[5-chloro-7-(diethylamino)- (9CI)
CAS No: 115948-26-0 Catalog No: AG000H5U MDL No:
Product Description
Catalog Number:
AG000H5U
Chemical Name:
2H-1-Benzopyran-2-one, 3,3'-carbonylbis[5-chloro-7-(diethylamino)- (9CI)
CAS Number:
115948-26-0
Molecular Formula:
C27H26Cl2N2O5
Molecular Weight:
529.4117
IUPAC Name:
5-chloro-3-[5-chloro-7-(diethylamino)-2-oxochromene-3-carbonyl]-7-(diethylamino)chromen-2-one
InChI:
InChI=1S/C27H26Cl2N2O5/c1-5-30(6-2)15-9-21(28)17-13-19(26(33)35-23(17)11-15)25(32)20-14-18-22(29)10-16(31(7-3)8-4)12-24(18)36-27(20)34/h9-14H,5-8H2,1-4H3
InChI Key:
HANCUISBTGRVPH-UHFFFAOYSA-N
SMILES:
CCN(c1cc(Cl)c2c(c1)oc(=O)c(c2)C(=O)c1cc2c(Cl)cc(cc2oc1=O)N(CC)CC)CC
Properties
Complexity:
857
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.122g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
529.414g/mol
Monoisotopic Mass:
528.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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