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148832-04-6 | 4-iodo-GBR
CAS No: 148832-04-6 Catalog No: AG00B3OS MDL No:
Product Description
Catalog Number:
AG00B3OS
Chemical Name:
4-iodo-GBR
CAS Number:
148832-04-6
IUPAC Name:
1-[2-[(4-iodophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
InChI:
InChI=1S/C28H31IN2O/c29-27-15-13-26(14-16-27)28(25-11-5-2-6-12-25)32-23-22-31-20-18-30(19-21-31)17-7-10-24-8-3-1-4-9-24/h1-16,28H,17-23H2/b10-7+
InChI Key:
RPYALWQJEMCAKH-JXMROGBWSA-N
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
538.148g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
538.473g/mol
Monoisotopic Mass:
538.148g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
15.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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