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141776-98-9 | Phenol, 4-[(1Z)-1-[4-(2-bromoethoxy)phenyl]-2-phenyl-1-buten-1-yl]-
CAS No: 141776-98-9 Catalog No: AG001H14 MDL No:
Product Description
Catalog Number:
AG001H14
Chemical Name:
Phenol, 4-[(1Z)-1-[4-(2-bromoethoxy)phenyl]-2-phenyl-1-buten-1-yl]-
CAS Number:
141776-98-9
Molecular Formula:
C24H23BrO2
Molecular Weight:
423.3422
IUPAC Name:
4-[1-[4-(2-bromoethoxy)phenyl]-2-phenylbut-1-enyl]phenol
InChI:
InChI=1S/C24H23BrO2/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(15-11-20)27-17-16-25/h3-15,26H,2,16-17H2,1H3
InChI Key:
CJOZMESSODTFHQ-UHFFFAOYSA-N
SMILES:
BrCCOc1ccc(cc1)/C(=C(\c1ccccc1)/CC)/c1ccc(cc1)O
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.088g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.35g/mol
Monoisotopic Mass:
422.088g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.5
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