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117095-59-7 | Phenol, 4-[2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]-2-methoxy-
CAS No: 117095-59-7 Catalog No: AG000DQ3 MDL No:
Product Description
Catalog Number:
AG000DQ3
Chemical Name:
Phenol, 4-[2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]-2-methoxy-
CAS Number:
117095-59-7
Molecular Formula:
C27H30ClNO3
Molecular Weight:
451.9850
IUPAC Name:
4-[2-chloro-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]-2-methoxyphenol
InChI:
InChI=1S/C27H30ClNO3/c1-4-29(5-2)17-18-32-23-14-11-20(12-15-23)26(27(28)21-9-7-6-8-10-21)22-13-16-24(30)25(19-22)31-3/h6-16,19,30H,4-5,17-18H2,1-3H3
InChI Key:
QRVWKOHAAHLWBP-UHFFFAOYSA-N
SMILES:
CCN(CCOc1ccc(cc1)C(=C(c1ccccc1)Cl)c1ccc(c(c1)OC)O)CC
Properties
Complexity:
565
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.191g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
451.991g/mol
Monoisotopic Mass:
451.191g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.9
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