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76578-39-7 | Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, butyl ester
CAS No: 76578-39-7 Catalog No: AG005KGJ MDL No:
Product Description
Catalog Number:
AG005KGJ
Chemical Name:
Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, butyl ester
CAS Number:
76578-39-7
Molecular Formula:
C21H21ClN2O4
Molecular Weight:
400.8554
IUPAC Name:
butyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
InChI:
InChI=1S/C21H21ClN2O4/c1-3-4-11-26-21(25)14(2)27-16-6-8-17(9-7-16)28-20-13-23-19-12-15(22)5-10-18(19)24-20/h5-10,12-14H,3-4,11H2,1-2H3
InChI Key:
GCIFBKFBVYLJNC-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)C(Oc1ccc(cc1)Oc1cnc2c(n1)ccc(c2)Cl)C
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.119g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.859g/mol
Monoisotopic Mass:
400.119g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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