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1440-00-2 | 1,3-Benzenediol, 4,4'-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis-
CAS No: 1440-00-2 Catalog No: AG001IQW MDL No:
Product Description
Catalog Number:
AG001IQW
Chemical Name:
1,3-Benzenediol, 4,4'-[6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diyl]bis-
CAS Number:
1440-00-2
Molecular Formula:
C22H17N3O5
Molecular Weight:
403.3875
IUPAC Name:
4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
InChI:
InChI=1S/C22H17N3O5/c1-30-15-6-2-12(3-7-15)20-23-21(16-8-4-13(26)10-18(16)28)25-22(24-20)17-9-5-14(27)11-19(17)29/h2-11,26-29H,1H3
InChI Key:
JLUNJUVGBLZKPE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(nc(n1)c1ccc(cc1O)O)c1ccc(cc1O)O
EC Number:
444-500-0
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.117g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
403.394g/mol
Monoisotopic Mass:
403.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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