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470688-18-7 | Chlorodicarbonyl[1-(i-propylamino);-2,3,4,5-tetraphenylcyclopentadienyl]ruthenium(II);
CAS No: 470688-18-7 Catalog No: AG003OTF MDL No:
Product Description
Catalog Number:
AG003OTF
Chemical Name:
Chlorodicarbonyl[1-(i-propylamino);-2,3,4,5-tetraphenylcyclopentadienyl]ruthenium(II);
CAS Number:
470688-18-7
Molecular Formula:
C34H30ClNO2Ru
Molecular Weight:
621.1305
IUPAC Name:
chlororuthenium(3+);methanone;2,3,4,5-tetraphenyl-N-propan-2-ylcyclopenta-2,4-dien-1-amine
InChI:
InChI=1S/C32H28N.2CHO.ClH.Ru/c1-23(2)33-32-30(26-19-11-5-12-20-26)28(24-15-7-3-8-16-24)29(25-17-9-4-10-18-25)31(32)27-21-13-6-14-22-27;2*1-2;;/h3-23,33H,1-2H3;2*1H;1H;/q3*-1;;+4/p-1
InChI Key:
KIHQSADFAGYHKF-UHFFFAOYSA-M
SMILES:
O=C[Ru](C1(NC(C)C)C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C=O)Cl
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
621.101g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
621.139g/mol
Monoisotopic Mass:
621.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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