Synonyms
(1R)-1-(4-Bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;rhodium
IUPAC Name
(1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid;rhodium;
Molecular Weight
1778.9
Molecular Formula
C88H68Br4O8Rh2
Canonical SMILES
C1C(C1(C2=CC=C(C=C2)Br)C(=O)O)(C3=CC=CC=C3)C4=CC=CC=C4.C1C(C1(C2=CC=C(C=C2)Br)C(=O)O)(C3=CC=CC=C3)C4=CC=CC=C4.C1C(C1(C2=CC=C(C=C2)Br)C(=O)O)(C3=CC=CC=C3)C4=CC=CC=C4.C1C(C1(C2=CC=C(C=C2)Br)C(=O)O)(C3=CC=CC=C3)C4=CC=CC=C4.[Rh].[Rh]
InChI
InChI=1S/4C22H17BrO2.2Rh/c4*23-19-13-11-18(12-14-19)22(20(24)25)15-21(22,16-7-3-1-4-8-16)17-9-5-2-6-10-17;/h4*1-14H,15H2,(H,24,25);/t4*22-;/m0./s1
InChI Key
FEKZBPRUJFOHNK-JOECBHQBSA-N
Purity
98%
Appearance
Green solid
Complexity
2240
Covalently-Bonded Unit Count
6
Defined Atom Stereocenter Count
4
Exact Mass
1777.97166
H-Bond Acceptor
8
H-Bond Donor
4
Heavy Atom Count
102
Isomeric SMILES
C1[C@](C1(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=C(C=C4)Br)C(=O)O.C1[C@](C1(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=C(C=C4)Br)C(=O)O.C1[C@](C1(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=C(C=C4)Br)C(=O)O.C1[C@](C1(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=C(C=C4)Br)C(=O)O.[Rh].[Rh]
Monoisotopic Mass
1773.97576
Rotatable Bond Count
16
Topological Polar Surface Area
149 Ų
