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85455-50-1 | 4-[(5-CHLORO-2-METHYLPHENYL)AZO]-N-(2,5-DIMETHOXYPHENYL)-3-HYDROXYNAPHTHALENE-2-CARBOXAMIDE
CAS No: 85455-50-1 Catalog No: AG004JUG MDL No:
Product Description
Catalog Number:
AG004JUG
Chemical Name:
4-[(5-CHLORO-2-METHYLPHENYL)AZO]-N-(2,5-DIMETHOXYPHENYL)-3-HYDROXYNAPHTHALENE-2-CARBOXAMIDE
CAS Number:
85455-50-1
Molecular Formula:
C26H22ClN3O4
Molecular Weight:
475.9236
IUPAC Name:
4-[(5-chloro-2-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
InChI:
InChI=1S/C26H22ClN3O4/c1-15-8-9-17(27)13-21(15)29-30-24-19-7-5-4-6-16(19)12-20(25(24)31)26(32)28-22-14-18(33-2)10-11-23(22)34-3/h4-14,31H,1-3H3,(H,28,32)
InChI Key:
BFNZPNOJLBXFSP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)c1cc2ccccc2c(c1O)N=Nc1cc(Cl)ccc1C)OC
EC Number:
287-286-2
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.13g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
475.929g/mol
Monoisotopic Mass:
475.13g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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