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1020719-27-0 | Phenol, 4-[1-[4-(2-chloroethoxy)phenyl]-2-phenyl-1-buten-1-yl-3,3,4,4,4-d5]-
CAS No: 1020719-27-0 Catalog No: AG0006JP MDL No:
Product Description
Catalog Number:
AG0006JP
Chemical Name:
Phenol, 4-[1-[4-(2-chloroethoxy)phenyl]-2-phenyl-1-buten-1-yl-3,3,4,4,4-d5]-
CAS Number:
1020719-27-0
Molecular Formula:
C24H18ClD5O2
Molecular Weight:
383.9220
IUPAC Name:
4-[1-[4-(2-chloroethoxy)phenyl]-3,3,4,4,4-pentadeuterio-2-phenylbut-1-enyl]phenol
InChI:
InChI=1S/C24H23ClO2/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/i1D3,2D2
InChI Key:
QDLAEGCSWYNGSD-ZBJDZAJPSA-N
SMILES:
ClCCOc1ccc(cc1)C(=C(C(C([2H])([2H])[2H])([2H])[2H])c1ccccc1)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:
383.17g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
5
Molecular Weight:
383.927g/mol
Monoisotopic Mass:
383.17g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.3
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