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102278-49-9 | 1(3H)-Isobenzofuranone, 3,3-bis[4-(methylamino)phenyl]-
CAS No: 102278-49-9 Catalog No: AG00073H MDL No:
Product Description
Catalog Number:
AG00073H
Chemical Name:
1(3H)-Isobenzofuranone, 3,3-bis[4-(methylamino)phenyl]-
CAS Number:
102278-49-9
Molecular Formula:
C22H20N2O2
Molecular Weight:
344.4064
IUPAC Name:
3,3-bis[4-(methylamino)phenyl]-2-benzofuran-1-one
InChI:
InChI=1S/C22H20N2O2/c1-23-17-11-7-15(8-12-17)22(16-9-13-18(24-2)14-10-16)20-6-4-3-5-19(20)21(25)26-22/h3-14,23-24H,1-2H3
InChI Key:
KNNGWESDZOFDIV-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)NC
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.152g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.414g/mol
Monoisotopic Mass:
344.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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