Home Carboxys Ethyl 6-[4-(diphenylamino)phenyl]coumarin-3-carboxylate

Ethyl 6-[4-(diphenylamino)phenyl]coumarin-3-carboxylate

CAS No.:
1056693-13-0
Catalog Number:
AG007VIT
Molecular Formula:
C30H23NO4
Molecular Weight:
461.5079
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
200mg
98%
In Stock USA
United States
$955
- +
1g
98%
In Stock USA
United States
$3332
- +
Product Description
Catalog Number:
AG007VIT
Chemical Name:
Ethyl 6-[4-(diphenylamino)phenyl]coumarin-3-carboxylate
CAS Number:
1056693-13-0
Molecular Formula:
C30H23NO4
Molecular Weight:
461.5079
MDL Number:
MFCD11973888
IUPAC Name:
ethyl 2-oxo-6-[4-(N-phenylanilino)phenyl]chromene-3-carboxylate
InChI:
InChI=1S/C30H23NO4/c1-2-34-29(32)27-20-23-19-22(15-18-28(23)35-30(27)33)21-13-16-26(17-14-21)31(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20H,2H2,1H3
InChI Key:
PQYVEQOPURSPHF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2cc(ccc2oc1=O)c1ccc(cc1)N(c1ccccc1)c1ccccc1
Properties
Complexity:
740  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
461.163g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.517g/mol
Monoisotopic Mass:
461.163g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2  
Properties