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167100-14-3 | Phenol, 4,4'-(1-pyrenylimino)bis-
CAS No: 167100-14-3 Catalog No: AG001X55 MDL No:
Product Description
Catalog Number:
AG001X55
Chemical Name:
Phenol, 4,4'-(1-pyrenylimino)bis-
CAS Number:
167100-14-3
Molecular Formula:
C28H19NO2
Molecular Weight:
401.4560
IUPAC Name:
4-(4-hydroxy-N-pyren-1-ylanilino)phenol
InChI:
InChI=1S/C28H19NO2/c30-23-12-8-21(9-13-23)29(22-10-14-24(31)15-11-22)26-17-7-20-5-4-18-2-1-3-19-6-16-25(26)28(20)27(18)19/h1-17,30-31H
InChI Key:
HNEGLCOBLGYLSY-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)N(c1ccc2c3c1ccc1c3c(cc2)ccc1)c1ccc(cc1)O
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.142g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
401.465g/mol
Monoisotopic Mass:
401.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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