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173202-60-3 | Propanedioic acid, bromo-, bis[(1S)-1-phenylbutyl] ester (9CI)
CAS No: 173202-60-3 Catalog No: AG001YPN MDL No:
Product Description
Catalog Number:
AG001YPN
Chemical Name:
Propanedioic acid, bromo-, bis[(1S)-1-phenylbutyl] ester (9CI)
CAS Number:
173202-60-3
Molecular Formula:
C23H27BrO4
Molecular Weight:
447.3621
IUPAC Name:
bis[(1S)-1-phenylbutyl] 2-bromopropanedioate
InChI:
InChI=1S/C23H27BrO4/c1-3-11-19(17-13-7-5-8-14-17)27-22(25)21(24)23(26)28-20(12-4-2)18-15-9-6-10-16-18/h5-10,13-16,19-21H,3-4,11-12H2,1-2H3/t19-,20-/m0/s1
InChI Key:
VIKGFJLNPRYZMZ-PMACEKPBSA-N
SMILES:
CCC[C@@H](c1ccccc1)OC(=O)C(C(=O)O[C@H](c1ccccc1)CCC)Br
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
446.109g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.369g/mol
Monoisotopic Mass:
446.109g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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