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1174046-76-4 | 2-Pyridinamine, 4-(4-amino-2-fluorophenoxy)-3-chloro-N-(diphenylmethylene)-
CAS No: 1174046-76-4 Catalog No: AG000E91 MDL No:
Product Description
Catalog Number:
AG000E91
Chemical Name:
2-Pyridinamine, 4-(4-amino-2-fluorophenoxy)-3-chloro-N-(diphenylmethylene)-
CAS Number:
1174046-76-4
Molecular Formula:
C24H17ClFN3O
Molecular Weight:
417.8627
IUPAC Name:
4-[2-(benzhydrylideneamino)-3-chloropyridin-4-yl]oxy-3-fluoroaniline
InChI:
InChI=1S/C24H17ClFN3O/c25-22-21(30-20-12-11-18(27)15-19(20)26)13-14-28-24(22)29-23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15H,27H2
InChI Key:
JIKRFKQNHXYGHW-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N=C(c1ccccc1)c1ccccc1
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.104g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
417.868g/mol
Monoisotopic Mass:
417.104g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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