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117095-65-5 | Phenol, 4-[1-chloro-2-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]-2-methoxy-
CAS No: 117095-65-5 Catalog No: AG000DQ1 MDL No:
Product Description
Catalog Number:
AG000DQ1
Chemical Name:
Phenol, 4-[1-chloro-2-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethenyl]-2-methoxy-
CAS Number:
117095-65-5
Molecular Formula:
C27H30ClNO3
Molecular Weight:
451.9850
IUPAC Name:
4-[1-chloro-2-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethyl]-2-methoxyphenol
InChI:
InChI=1S/C27H32ClNO3/c1-4-29(5-2)17-18-32-23-14-11-21(12-15-23)26(20-9-7-6-8-10-20)27(28)22-13-16-24(30)25(19-22)31-3/h6-16,19,26-27,30H,4-5,17-18H2,1-3H3
InChI Key:
PEXJBROMVLFYHY-UHFFFAOYSA-N
SMILES:
CCN(CCOc1ccc(cc1)C(=C(c1ccc(c(c1)OC)O)Cl)c1ccccc1)CC
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.207g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
454.007g/mol
Monoisotopic Mass:
453.207g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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