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713079-03-9 | Ir(dpM)PQ2 , Bis(2-phenylquinoline)(2,2,6,6-tetraMethylhepta
CAS No: 713079-03-9 Catalog No: AG00FGS3 MDL No:
Product Description
Catalog Number:
AG00FGS3
Chemical Name:
Ir(dpM)PQ2 , Bis(2-phenylquinoline)(2,2,6,6-tetraMethylhepta
CAS Number:
713079-03-9
IUPAC Name:
18-[(3S)-3-aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-2(15),3,5,7,9,11,13,17(25),18,20,23-undecaene-23-carboxylic acid
InChI:
InChI=1S/C28H20FN3O4/c29-21-10-19-24-27(25(21)31-8-7-16(30)12-31)36-23-11-18-15(6-5-14-3-1-2-4-17(14)18)9-22(23)32(24)13-20(26(19)33)28(34)35/h1-6,9-11,13,16H,7-8,12,30H2,(H,34,35)/t16-/m0/s1
InChI Key:
QYQUMHWYIJBNPE-INIZCTEOSA-N
NSC Number:
713079
Properties
Complexity:
959
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
481.144g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
481.483g/mol
Monoisotopic Mass:
481.144g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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